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Details

Stereochemistry EPIMERIC
Molecular Formula C27H37N9O7S3
Molecular Weight 695.834
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CEFOTIAM HEXETIL

SMILES

[H][C@]12SCC(CSC3=NN=NN3CCN(C)C)=C(N1C(=O)[C@H]2NC(=O)CC4=CSC(N)=N4)C(=O)OC(C)OC(=O)OC5CCCCC5

InChI

InChIKey=VVFDMWZLBPUKTD-ZKRNHDOASA-N
InChI=1S/C27H37N9O7S3/c1-15(42-27(40)43-18-7-5-4-6-8-18)41-24(39)21-16(13-46-26-31-32-33-35(26)10-9-34(2)3)12-44-23-20(22(38)36(21)23)30-19(37)11-17-14-45-25(28)29-17/h14-15,18,20,23H,4-13H2,1-3H3,(H2,28,29)(H,30,37)/t15?,20-,23-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
CEFOTIAM HEXETIL
Common Name English
5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-(((2-AMINO-4-THIAZOLYL)ACETYL)AMINO)-3-(((1-(2-(DIMETHYLAMINO)ETHYL)-1H-TETRAZOL-5-YL)THIO)METHYL)-8-OXO-, 1-(((CYCLOHEXYLOXY)CARBONYL)OXY)ETHYL ESTER, (6R,7R)-
Systematic Name English
CEFOTIAM HEXETIL ESTER
Common Name English
CTM-HE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID20914817
Created by admin on Sat Dec 16 09:49:47 UTC 2023 , Edited by admin on Sat Dec 16 09:49:47 UTC 2023
PRIMARY
PUBCHEM
125846
Created by admin on Sat Dec 16 09:49:47 UTC 2023 , Edited by admin on Sat Dec 16 09:49:47 UTC 2023
PRIMARY
FDA UNII
J92A81Y99T
Created by admin on Sat Dec 16 09:49:47 UTC 2023 , Edited by admin on Sat Dec 16 09:49:47 UTC 2023
PRIMARY
DRUG CENTRAL
549
Created by admin on Sat Dec 16 09:49:47 UTC 2023 , Edited by admin on Sat Dec 16 09:49:47 UTC 2023
PRIMARY
SMS_ID
100000085392
Created by admin on Sat Dec 16 09:49:47 UTC 2023 , Edited by admin on Sat Dec 16 09:49:47 UTC 2023
PRIMARY
CAS
95761-91-4
Created by admin on Sat Dec 16 09:49:47 UTC 2023 , Edited by admin on Sat Dec 16 09:49:47 UTC 2023
PRIMARY
EVMPD
SUB22070
Created by admin on Sat Dec 16 09:49:47 UTC 2023 , Edited by admin on Sat Dec 16 09:49:47 UTC 2023
PRIMARY
CHEBI
59211
Created by admin on Sat Dec 16 09:49:47 UTC 2023 , Edited by admin on Sat Dec 16 09:49:47 UTC 2023
PRIMARY