Cas no 60846-21-1 (cefotaxime)
cefotaxime structure
Product Name:cefotaxime
CAS No:60846-21-1
MF:C16H17N5O7S2
MW:455.465480566025
CID:2674460
PubChem ID:5742673
Update Time:2025-04-21
cefotaxime Chemical and Physical Properties
Names and Identifiers
-
- cefotaxime
- (6R,7R)-3-(Acetoxymethyl)-8-oxo-7-[(2-amino-4-thiazolyl)(methoxyimino)acetylamino]-5-thia-1-azabicyclo[4.2.0]octa-2-ene-2-carboxylic acid
- (6R)-3-acetoxymethyl-7t-[2-(2-amino-thiazol-4-yl)-2-(E)-methoxyimino-acetylamino]-8-oxo-(6rH)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- 7β-[2-(2-amino-thiazol-4-yl)-2-(E)-methoxyimino-acetylamino]-cephalosporanic acid
- calforan
- cefotaxim
- Cefotaxine
- claforan
- N2GI8B1GK7
- (6R,7R)-3-[(acetyloxy)methyl]-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- Cefotaxim Hikma
- Cefotaxime (INN)
- (6R,7R)-3-(acetoxymethyl)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- DTXSID501100149
- (6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- MFCD00864971
- (E)-Cefotaxime
- DA-51752
- 63527-52-6
- Cefotaximum
- AKOS015951267
- (6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxo-5-thia-1-azabicy clo[4.2.0]oct-2-ene-2-carboxylic acid
- EN300-21702510
- 4kot
- Prestwick2_000139
- BRD-K78364995-236-17-5
- (6R,7R,Z)-3-(acetoxymethyl)-7-(2-(2-aminothiazol-4-yl)-2-(methoxyimino)acetamido)-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- DTXSID6022761
- (6R,7R)-3-[(Acetyloxy)methyl]-7-[[(2E)-2-(2-amino-4-thiazolyl)-2-(methoxyimino)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- Cephotaxime
- AS-12690
- 60846-21-1
- 264-299-1
- (6R,7R,Z)-3-(acetoxymethyl)-7-(2-(2-aminothiazol-4-yl)-2-(methoxyimino)acetamido)-8-oxo-5-thia-1-aza-bicyclo(4.2.0)oct-2-ene-2-carboxylic acid
- Q27262497
- DTXCID501476108
- Cephotaxim
- Cefotaxima [INN-Spanish]
- (6R,7R)-3-Acetoxymethyl-7-(2-(2-amino-thiazol-4-yl)-2-((Z)-methoxyimino)-acetylamino)-8-oxo-5-thia-1-aza-bicyclo(4.2.0)oct-2-ene-2-carboxylic acid
- HY-A0088A
- CEFOTAXIME [VANDF]
- s4720
- CHEMBL1730
- CEFOTAXIME [WHO-DD]
- Claforan (*Sodium salt*)
- C06885
- DB00493
- HMS2090M11
- CEFOTAXIME [INN]
- Lopac0_000278
- CEFOTAXIME [MI]
- 3-(acetoxymethyl)-7beta-(((2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl)amino)-3,4-didehydrocepham-4-carboxylic acid
- BDBM50482777
- CS-0013515
- (6R,7R,Z)-3-(ACETOXYMETHYL)-7-(2-(2-AMINOTHIAZOL-4-YL)-2-(METHOXYIMINO)ACETAMIDO)-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID
- (6R,7R)-3-(acetoxymethyl)-7-(((2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl)amino)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
- Cefotaxime [INN:BAN]
- E-cefotaxime
- RU 24662
- (6R,7R)-3-(acetoxymethyl)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- (6R,7R)-3-[(acetyloxy)methyl]-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- BRD-K78364995-236-16-7
- SCHEMBL3731931
- J01DA10
- (6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxo-5-thia-1-azabicy
- CEFOTAXIME [JAN]
- 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[[(2E)-2-(2-amino-4-thiazolyl)-2-(methoxyimino)acetyl]amino]-8-oxo-, (6R,7R)-; 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[[(2-amino-4-thiaz
- 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((acetyloxy)methyl)-7-(((2Z)-(2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-8-oxo-, (6R,7R)-
- 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[[(2Z)-(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-8-oxo-, (6R,7R)-
- Cefotaxima
- 3-(Acetyloxymethyl)-7-(((2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-acetyl)amino)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
- (6R,7R)-3-Acetoxymethyl-7-{2-(2-amino-thiazol-4-yl)-2-[(Z)-methoxyimino]-acetylamino}-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- CHEBI:204928
- BRD-K78364995-236-03-5
- Prestwick3_000139
- 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((acetyloxy)methyl)-7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-8-oxo-, (6R-(6alpha,7beta(Z)))-
- SDCCGSBI-0050266.P002
- (6R,7R)-3-(Acetoxymethyl)-7-((2-(2-amino-4-thiazolyl)-2-methoxyiminoglyoxylamino)-8-oco-5-thia-1-azabicyclo(4.2.0)oct-2-en-2-carbonsaeure
- Cefotaxima acid
- Cefotaxima (INN-Spanish)
- Cefotaximum [INN-Latin]
- D07647
- UNII-N2GI8B1GK7
- MSK10011
- Omnatax
- BPBio1_000240
- Cefotaxime acid
- BSPBio_000218
- EINECS 264-299-1
- (6R,7R)-3-(Acetoxymethyl)-7-(()-2-(2-amino-4-thiazolyl)-2-methoxyiminoglyoxylamino)-8-oco-5-thia-1-azabicyclo(4.2.0)oct-2-en-2-carbonsaeure
- Cefotaxim Hikma (TN)
- Taxim
- clo[4.2.0]oct-2-ene-2-carboxylic acid
- Cefotaximum (INN-Latin)
- AC-217
-
- Inchi: 1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9-/t10-,14-/m1/s1
- InChI Key: GPRBEKHLDVQUJE-QSWIMTSFSA-N
- SMILES: S1CC(COC(C)=O)=C(C(=O)O)N2C([C@H]([C@@H]12)NC(/C(/C1=CSC(N)=N1)=N\OC)=O)=O
Computed Properties
- Exact Mass: 455.05700
- Monoisotopic Mass: 455.05694025Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 12
- Heavy Atom Count: 30
- Rotatable Bond Count: 8
- Complexity: 833
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: -1.4
- Topological Polar Surface Area: 227?2
Experimental Properties
- PSA: 227.05000
- LogP: 0.28750
cefotaxime Related Literature
-
Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
-
Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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