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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H30N8O7S2
Molecular Weight 606.674
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 3
Charge 0

SHOW SMILES / InChI
Structure of CEFTRAZONAL BOPENTIL

SMILES

CC\C=C(\COC(=O)C1=C(CN=[N+]=[N-])CS[C@@H]2[C@H](NC(=O)C(=N\OC)\C3=CSC(N)=N3)C(=O)N12)C(=O)OCC(C)C

InChI

InChIKey=FHPWLEQQFDSPCU-SVEZEBCVSA-N
InChI=1S/C24H30N8O7S2/c1-5-6-13(22(35)38-8-12(2)3)9-39-23(36)18-14(7-27-31-26)10-40-21-17(20(34)32(18)21)29-19(33)16(30-37-4)15-11-41-24(25)28-15/h6,11-12,17,21H,5,7-10H2,1-4H3,(H2,25,28)(H,29,33)/b13-6-,30-16+/t17-,21-/m1/s1

HIDE SMILES / InChI

Molecular Formula C24H30N8O7S2
Molecular Weight 606.674
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 3
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 08:02:51 GMT 2025
Edited
by admin
on Wed Apr 02 08:02:51 GMT 2025
Record UNII
3UK5MH3RJ2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CEFTRAZONAL BOPENTIL
Common Name English
Ro-41-3399
Preferred Name English
(6R,7R)-7-[2-(2-Aminothiazol-4-yl)-2(Z)-(methoxyimino)acetamido]-3-(azidomethyl)-3-cephem-4-carboxylic acid 2-(isobutoxycarbonyl)-2(E)-pentenyl ester
Systematic Name English
2-(2-METHYLPROPOXYCARBONYL)PENT-2-ENYL (6S,7S)-7-((2-(2-AZANYL-1,3-THIAZOL-4-YL)-2-METHOXYIMINO-ETHANOYL)AMINO)-3-(AZIDOMETHYL)-8-OXIDANYLIDENE-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLATE
Systematic Name English
Code System Code Type Description
PUBCHEM
9577440
Created by admin on Wed Apr 02 08:02:51 GMT 2025 , Edited by admin on Wed Apr 02 08:02:51 GMT 2025
PRIMARY
CAS
124084-44-2
Created by admin on Wed Apr 02 08:02:51 GMT 2025 , Edited by admin on Wed Apr 02 08:02:51 GMT 2025
PRIMARY
FDA UNII
3UK5MH3RJ2
Created by admin on Wed Apr 02 08:02:51 GMT 2025 , Edited by admin on Wed Apr 02 08:02:51 GMT 2025
PRIMARY
Related Record Type Details
METABOLITE ACTIVE -> PRODRUG
Related Record Type Details
ACTIVE MOIETY
Prevotella, Porphyromonas, Peptostreptococcus, Fusobacterium and Clostridium spp. were susceptible to Ro 40-6890, with few exceptions. Due to its lack of activity against the major pathogens of the Bacteroides fragilis group, Ro 40-6890 does not promise to be of major use in the treatment of infections caused by anaerobes.