Filtered Search Results
Thermo Scientific Chemicals Anhydrotetracycline hydrochloride, 'can be used as a secondary standard'
CAS: 13803-65-1 Molecular Formula: C22H23ClN2O6 Molecular Weight (g/mol): 446.88 MDL Number: MFCD00151453 InChI Key: FFZXKJVSZDKEMY-XGRJIHFXNA-N Synonym: anhydrotetracycline hydrochloride,unii-ovg14h105r,anhydrotetracycline hcl,c22h22n2o7.hcl,2-naphthacenecarboxamide, 4-dimethylamino-1,4,4a,5,12,12a-hexahydro-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-, monohydrochloride, 4s-4alpha,4aalpha,12aalpha,4-dimethylamino-1,4,4a,5,12,12a-hexahydro-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-2-naphthacenecarboxamide monohydrochloride, 4s-4alpha,4aalpha,12aalpha,anhydrotetracycline hydrochloride, vetranal tm , analytical standard,anhydrotetracycline hydrochloride, certified reference material, tracecert r,anhydrotetracycline hydrochloride, european pharmacopoeia ep reference standard,anhydrotetracycline hydrochloride, united states pharmacopeia usp reference standard PubChem CID: 54710409 IUPAC Name: (4S,4aS,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4a,5-dihydro-4H-tetracene-2-carboxamide;hydrochloride SMILES: [H+].[Cl-].CN(C)C1C2CC3=C(C(O)=C4C=CC=CC4=C3C)C(=O)C2(O)C(=O)\C(=C(\N)O)C1=O
PubChem CID | 54710409 |
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CAS | 13803-65-1 |
Molecular Weight (g/mol) | 446.88 |
MDL Number | MFCD00151453 |
SMILES | [H+].[Cl-].CN(C)C1C2CC3=C(C(O)=C4C=CC=CC4=C3C)C(=O)C2(O)C(=O)\C(=C(\N)O)C1=O |
Synonym | anhydrotetracycline hydrochloride,unii-ovg14h105r,anhydrotetracycline hcl,c22h22n2o7.hcl,2-naphthacenecarboxamide, 4-dimethylamino-1,4,4a,5,12,12a-hexahydro-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-, monohydrochloride, 4s-4alpha,4aalpha,12aalpha,4-dimethylamino-1,4,4a,5,12,12a-hexahydro-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-2-naphthacenecarboxamide monohydrochloride, 4s-4alpha,4aalpha,12aalpha,anhydrotetracycline hydrochloride, vetranal tm , analytical standard,anhydrotetracycline hydrochloride, certified reference material, tracecert r,anhydrotetracycline hydrochloride, european pharmacopoeia ep reference standard,anhydrotetracycline hydrochloride, united states pharmacopeia usp reference standard |
IUPAC Name | (4S,4aS,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4a,5-dihydro-4H-tetracene-2-carboxamide;hydrochloride |
InChI Key | FFZXKJVSZDKEMY-XGRJIHFXNA-N |
Molecular Formula | C22H23ClN2O6 |
Thermo Scientific Chemicals Chloramphenicol, 98%
CAS: 56-75-7 Molecular Formula: C11H12Cl2N2O5 Molecular Weight (g/mol): 323.126 MDL Number: MFCD00078159 InChI Key: WIIZWVCIJKGZOK-RKDXNWHRSA-N Synonym: Chloromycetin,D(-)-threo-2, 2-Dichloro-N-[β-hydroxy-α-(hydroxy-methyl)-p-nitrophenylethyl]acetamide PubChem CID: 5959 ChEBI: CHEBI:17698 IUPAC Name: 2,2-dichloro-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide SMILES: C1=CC(=CC=C1C(C(CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-]
PubChem CID | 5959 |
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CAS | 56-75-7 |
Molecular Weight (g/mol) | 323.126 |
ChEBI | CHEBI:17698 |
MDL Number | MFCD00078159 |
SMILES | C1=CC(=CC=C1C(C(CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-] |
Synonym | Chloromycetin,D(-)-threo-2, 2-Dichloro-N-[β-hydroxy-α-(hydroxy-methyl)-p-nitrophenylethyl]acetamide |
IUPAC Name | 2,2-dichloro-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide |
InChI Key | WIIZWVCIJKGZOK-RKDXNWHRSA-N |
Molecular Formula | C11H12Cl2N2O5 |
Sulfanilamide, 98%, Thermo Scientific Chemicals
CAS: 63-74-1 Molecular Formula: C6H8N2O2S Molecular Weight (g/mol): 172.202 MDL Number: MFCD00007939 InChI Key: FDDDEECHVMSUSB-UHFFFAOYSA-N Synonym: sulfanilamide,sulphanilamide,sulfamine,sulphonamide,p-aminobenzenesulfonamide,sulfonylamide,sulfonamide,p-aminobenzenesulfamide,bacteramid,streptasol PubChem CID: 5333 ChEBI: CHEBI:45373 IUPAC Name: 4-aminobenzenesulfonamide SMILES: C1=CC(=CC=C1N)S(=O)(=O)N
PubChem CID | 5333 |
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CAS | 63-74-1 |
Molecular Weight (g/mol) | 172.202 |
ChEBI | CHEBI:45373 |
MDL Number | MFCD00007939 |
SMILES | C1=CC(=CC=C1N)S(=O)(=O)N |
Synonym | sulfanilamide,sulphanilamide,sulfamine,sulphonamide,p-aminobenzenesulfonamide,sulfonylamide,sulfonamide,p-aminobenzenesulfamide,bacteramid,streptasol |
IUPAC Name | 4-aminobenzenesulfonamide |
InChI Key | FDDDEECHVMSUSB-UHFFFAOYSA-N |
Molecular Formula | C6H8N2O2S |
Thermo Scientific Chemicals Mitomycin C, contains 2 mg Mitomycin C and 48 mg NaCl
Mitomycin C, CAS # 50-07-7, is a methylazirinopyrroloindoledione complex isolated from the bacterium Streptomyces caespitosus and other Streptomyces bacterial species. It is a versatile and potent compound with antibiotic activity and may have potential therapeutic value in the treatment of cancer.
Thermo Scientific Chemicals Vancomycin hydrochloride, Molecular Biology Grade
CAS: 1404-93-9 Molecular Formula: C66H76Cl3N9O24 Molecular Weight (g/mol): 1485.72 MDL Number: MFCD03613611,MFCD03613611 InChI Key: LCTORFDMHNKUSG-UHFFFAOYNA-N PubChem CID: 124080918 IUPAC Name: 48-({3-[(4-amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-22-(carbamoylmethyl)-5,15-dichloro-2,18,32,35,37-pentahydroxy-19-[4-methyl-2-(methylamino)pentanamido]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.2³,⁶.2¹⁴,¹⁷.1⁸,¹².1²⁹,³³.0¹⁰,²⁵.0³⁴,³⁹]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid hydrochloride SMILES: Cl.CNC(CC(C)C)C(=O)NC1C(O)C2=CC(Cl)=C(OC3=CC4=CC(OC5=C(Cl)C=C(C=C5)C(O)C5NC(=O)C(NC(=O)C4NC(=O)C(CC(N)=O)NC1=O)C1=CC(=C(O)C=C1)C1=C(O)C=C(O)C=C1C(NC5=O)C(O)=O)=C3OC1OC(CO)C(O)C(O)C1OC1CC(C)(N)C(O)C(C)O1)C=C2
PubChem CID | 124080918 |
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CAS | 1404-93-9 |
Molecular Weight (g/mol) | 1485.72 |
MDL Number | MFCD03613611,MFCD03613611 |
SMILES | Cl.CNC(CC(C)C)C(=O)NC1C(O)C2=CC(Cl)=C(OC3=CC4=CC(OC5=C(Cl)C=C(C=C5)C(O)C5NC(=O)C(NC(=O)C4NC(=O)C(CC(N)=O)NC1=O)C1=CC(=C(O)C=C1)C1=C(O)C=C(O)C=C1C(NC5=O)C(O)=O)=C3OC1OC(CO)C(O)C(O)C1OC1CC(C)(N)C(O)C(C)O1)C=C2 |
IUPAC Name | 48-({3-[(4-amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-22-(carbamoylmethyl)-5,15-dichloro-2,18,32,35,37-pentahydroxy-19-[4-methyl-2-(methylamino)pentanamido]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.2³,⁶.2¹⁴,¹⁷.1⁸,¹².1²⁹,³³.0¹⁰,²⁵.0³⁴,³⁹]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid hydrochloride |
InChI Key | LCTORFDMHNKUSG-UHFFFAOYNA-N |
Molecular Formula | C66H76Cl3N9O24 |
Thermo Scientific Chemicals Ciprofloxacin, 98%
CAS: 85721-33-1 Molecular Formula: C17H18FN3O3 Molecular Weight (g/mol): 331.34 InChI Key: MYSWGUAQZAJSOK-UHFFFAOYSA-N Synonym: ciprofloxacin,ciprofloxacine,ciprobay,ciproxan,ciprofloxacina,cipro,ciprofloxacino,ciprofloxacinum,cipro iv,bacquinor PubChem CID: 2764 ChEBI: CHEBI:100241 IUPAC Name: 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid SMILES: C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O
PubChem CID | 2764 |
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CAS | 85721-33-1 |
Molecular Weight (g/mol) | 331.34 |
ChEBI | CHEBI:100241 |
SMILES | C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O |
Synonym | ciprofloxacin,ciprofloxacine,ciprobay,ciproxan,ciprofloxacina,cipro,ciprofloxacino,ciprofloxacinum,cipro iv,bacquinor |
IUPAC Name | 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid |
InChI Key | MYSWGUAQZAJSOK-UHFFFAOYSA-N |
Molecular Formula | C17H18FN3O3 |
Thermo Scientific Chemicals Sulfanilamide 98%
CAS: 63-74-1 Molecular Formula: C6H8N2O2S Molecular Weight (g/mol): 172.202 MDL Number: MFCD00007939 InChI Key: FDDDEECHVMSUSB-UHFFFAOYSA-N Synonym: 4-Aminobenzenesulfonamide PubChem CID: 5333 ChEBI: CHEBI:45373 IUPAC Name: 4-aminobenzenesulfonamide SMILES: C1=CC(=CC=C1N)S(=O)(=O)N
PubChem CID | 5333 |
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CAS | 63-74-1 |
Molecular Weight (g/mol) | 172.202 |
ChEBI | CHEBI:45373 |
MDL Number | MFCD00007939 |
SMILES | C1=CC(=CC=C1N)S(=O)(=O)N |
Synonym | 4-Aminobenzenesulfonamide |
IUPAC Name | 4-aminobenzenesulfonamide |
InChI Key | FDDDEECHVMSUSB-UHFFFAOYSA-N |
Molecular Formula | C6H8N2O2S |
Streptomycin sulfate, Cell Culture Reagent, Thermo Scientific Chemicals
CAS: 3810-74-0 Molecular Formula: C42H84N14O36S3 Molecular Weight (g/mol): 1457.376 MDL Number: MFCD00037023 InChI Key: QTENRWWVYAAPBI-FFCQDDOVSA-N PubChem CID: 124080941 IUPAC Name: 2-[(1R,2S,3S,4S,5R,6S)-3-(diaminomethylideneamino)-4-[(2R,3S,4S,5S)-3-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-formyl-4-hydroxy-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine;2-[(1R,2S,3S,4R,5R,6R)-3-( SMILES: CC1C(C(C(O1)OC2C(C(C(C(C2O)O)N=C(N)N)O)N=C(N)N)OC3C(C(C(C(O3)CO)O)O)NC)(C=O)O.CC1C(C(C(O1)OC2C(C(C(C(C2O)O)N=C(N)N)O)N=C(N)N)OC3C(C(C(C(O3)CO)O)O)NC)(C=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O
PubChem CID | 124080941 |
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CAS | 3810-74-0 |
Molecular Weight (g/mol) | 1457.376 |
MDL Number | MFCD00037023 |
SMILES | CC1C(C(C(O1)OC2C(C(C(C(C2O)O)N=C(N)N)O)N=C(N)N)OC3C(C(C(C(O3)CO)O)O)NC)(C=O)O.CC1C(C(C(O1)OC2C(C(C(C(C2O)O)N=C(N)N)O)N=C(N)N)OC3C(C(C(C(O3)CO)O)O)NC)(C=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O |
IUPAC Name | 2-[(1R,2S,3S,4S,5R,6S)-3-(diaminomethylideneamino)-4-[(2R,3S,4S,5S)-3-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-formyl-4-hydroxy-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine;2-[(1R,2S,3S,4R,5R,6R)-3-( |
InChI Key | QTENRWWVYAAPBI-FFCQDDOVSA-N |
Molecular Formula | C42H84N14O36S3 |
Thermo Scientific Chemicals Rifampin, 95%
CAS: 13292-46-1 Molecular Formula: C43H58N4O12 Molecular Weight (g/mol): 822.953 InChI Key: FZYOVNIOYYPUPY-HRJPTAQKSA-N PubChem CID: 131839595 SMILES: CC1C=CC=C(C(=O)NC2=C(C3=C(C(=C4C(=C3C(=O)C2=CNN5CCN(CC5)C)C(=O)C(O4)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)C
PubChem CID | 131839595 |
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CAS | 13292-46-1 |
Molecular Weight (g/mol) | 822.953 |
SMILES | CC1C=CC=C(C(=O)NC2=C(C3=C(C(=C4C(=C3C(=O)C2=CNN5CCN(CC5)C)C(=O)C(O4)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)C |
InChI Key | FZYOVNIOYYPUPY-HRJPTAQKSA-N |
Molecular Formula | C43H58N4O12 |
Benzalkonium chloride, alkyl distribution from C8H17 to C16H33, Thermo Scientific Chemicals
CAS: 8001-54-5 Molecular Formula: C9H13ClN Molecular Weight (g/mol): 170.66 MDL Number: MFCD00145757 Synonym: Alkyl-benzyl-dimethylammonium chloride
CAS | 8001-54-5 |
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Molecular Weight (g/mol) | 170.66 |
MDL Number | MFCD00145757 |
Synonym | Alkyl-benzyl-dimethylammonium chloride |
Molecular Formula | C9H13ClN |
Puromycin dihydrochloride, 10 mg/ml in distilled water, sterile-filtered, Thermo Scientific Chemicals
CAS: 58-58-2 Molecular Formula: C22H31Cl2N7O5 Molecular Weight (g/mol): 544.43 MDL Number: MFCD00150080 InChI Key: MKSVFGKWZLUTTO-MLYJQVMKNA-N PubChem CID: 439530 ChEBI: CHEBI:17939 SMILES: Cl.Cl.COC1=CC=C(C[C@H](N)C(=O)N[C@@H]2[C@@H](CO)O[C@H]([C@@H]2O)N2C=NC3=C(N=CN=C23)N(C)C)C=C1
PubChem CID | 439530 |
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CAS | 58-58-2 |
Molecular Weight (g/mol) | 544.43 |
ChEBI | CHEBI:17939 |
MDL Number | MFCD00150080 |
SMILES | Cl.Cl.COC1=CC=C(C[C@H](N)C(=O)N[C@@H]2[C@@H](CO)O[C@H]([C@@H]2O)N2C=NC3=C(N=CN=C23)N(C)C)C=C1 |
InChI Key | MKSVFGKWZLUTTO-MLYJQVMKNA-N |
Molecular Formula | C22H31Cl2N7O5 |
Hygromycin B, Thermo Scientific Chemicals
CAS: 31282-04-9 Molecular Formula: C20H37N3O13 Molecular Weight (g/mol): 527.524 MDL Number: MFCD06795479 InChI Key: GRRNUXAQVGOGFE-BBMONYMYSA-N PubChem CID: 134129613 IUPAC Name: (3'S,3aS,4S,4'S,5'R,6R,6'R,7R,7aS)-4-[(1R,2S,3R,5S,6S)-3-amino-2,6-dihydroxy-5-(methylamino)cyclohexyl]oxy-6'-[(1S)-1-amino-2-hydroxyethyl]-6-(hydroxymethyl)spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,2'-oxane]-3',4',5',7-tetrol SMILES: CNC1CC(C(C(C1O)OC2C3C(C(C(O2)CO)O)OC4(O3)C(C(C(C(O4)C(CO)N)O)O)O)O)N
PubChem CID | 134129613 |
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CAS | 31282-04-9 |
Molecular Weight (g/mol) | 527.524 |
MDL Number | MFCD06795479 |
SMILES | CNC1CC(C(C(C1O)OC2C3C(C(C(O2)CO)O)OC4(O3)C(C(C(C(O4)C(CO)N)O)O)O)O)N |
IUPAC Name | (3'S,3aS,4S,4'S,5'R,6R,6'R,7R,7aS)-4-[(1R,2S,3R,5S,6S)-3-amino-2,6-dihydroxy-5-(methylamino)cyclohexyl]oxy-6'-[(1S)-1-amino-2-hydroxyethyl]-6-(hydroxymethyl)spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,2'-oxane]-3',4',5',7-tetrol |
InChI Key | GRRNUXAQVGOGFE-BBMONYMYSA-N |
Molecular Formula | C20H37N3O13 |
Thermo Scientific Chemicals Trimethoprim, 98%
CAS: 738-70-5 Molecular Formula: C14H18N4O3 Molecular Weight (g/mol): 290.32 InChI Key: IEDVJHCEMCRBQM-UHFFFAOYSA-N Synonym: trimethoprim,proloprim,trimpex,bactramin,monotrim,monotrimin,trimetoprim,trimopan,monoprim,syraprim PubChem CID: 5578 ChEBI: CHEBI:45924 IUPAC Name: 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine SMILES: COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N
PubChem CID | 5578 |
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CAS | 738-70-5 |
Molecular Weight (g/mol) | 290.32 |
ChEBI | CHEBI:45924 |
SMILES | COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N |
Synonym | trimethoprim,proloprim,trimpex,bactramin,monotrim,monotrimin,trimetoprim,trimopan,monoprim,syraprim |
IUPAC Name | 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine |
InChI Key | IEDVJHCEMCRBQM-UHFFFAOYSA-N |
Molecular Formula | C14H18N4O3 |
Thermo Scientific Chemicals 4-Epitetracycline hydrochloride, can be used as a secondary standard
CAS: 23313-80-6 Molecular Formula: C22H24N2O8·HCl Molecular Weight (g/mol): 480.89 MDL Number: MFCD00865028 InChI Key: YCIHPQHVWDULOY-DXDJYCPMSA-N Synonym: 4-epitetracycline hydrochloride,epitetracycline hydrochloride,4-epi-tetracycline hydrochloride,quatrimycin hydrochloride,epitetracycline hcl,unii-i7c3edl2yg,i7c3edl2yg,epitetracycline hydrochloride usp,4r,4as,5as,6s,12as-4-dimethylamino-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide monohydrochloride PubChem CID: 54686189 IUPAC Name: (4R,4aS,5aS,6S,12aR)-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;hydrochloride SMILES: CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.Cl
PubChem CID | 54686189 |
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CAS | 23313-80-6 |
Molecular Weight (g/mol) | 480.89 |
MDL Number | MFCD00865028 |
SMILES | CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.Cl |
Synonym | 4-epitetracycline hydrochloride,epitetracycline hydrochloride,4-epi-tetracycline hydrochloride,quatrimycin hydrochloride,epitetracycline hcl,unii-i7c3edl2yg,i7c3edl2yg,epitetracycline hydrochloride usp,4r,4as,5as,6s,12as-4-dimethylamino-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide monohydrochloride |
IUPAC Name | (4R,4aS,5aS,6S,12aR)-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;hydrochloride |
InChI Key | YCIHPQHVWDULOY-DXDJYCPMSA-N |
Molecular Formula | C22H24N2O8·HCl |
Amphotericin B, Streptomyces nodosus, Thermo Scientific Chemicals
CAS: 1397-89-3 Molecular Formula: C47H73NO17 Molecular Weight (g/mol): 924.09 MDL Number: MFCD00877763 InChI Key: APKFDSVGJQXUKY-ZNVUZQDLSA-N PubChem CID: 134129663 IUPAC Name: (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19Z,21Z,23Z,25Z,27Z,29Z,31Z,33R,35S,36R,37S)-33-{[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid SMILES: C[C@H]1O[C@@H](O[C@@H]2C[C@@H]3O[C@@](O)(C[C@H](O)[C@H]3C(O)=O)C[C@@H](O)C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)CC(=O)O[C@@H](C)[C@H](C)[C@H](O)[C@@H](C)\C=C/C=C\C=C/C=C\C=C/C=C\C=C/2)[C@@H](O)[C@@H](N)[C@@H]1O
PubChem CID | 134129663 |
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CAS | 1397-89-3 |
Molecular Weight (g/mol) | 924.09 |
MDL Number | MFCD00877763 |
SMILES | C[C@H]1O[C@@H](O[C@@H]2C[C@@H]3O[C@@](O)(C[C@H](O)[C@H]3C(O)=O)C[C@@H](O)C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)CC(=O)O[C@@H](C)[C@H](C)[C@H](O)[C@@H](C)\C=C/C=C\C=C/C=C\C=C/C=C\C=C/2)[C@@H](O)[C@@H](N)[C@@H]1O |
IUPAC Name | (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19Z,21Z,23Z,25Z,27Z,29Z,31Z,33R,35S,36R,37S)-33-{[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid |
InChI Key | APKFDSVGJQXUKY-ZNVUZQDLSA-N |
Molecular Formula | C47H73NO17 |