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Details

Stereochemistry EPIMERIC
Molecular Formula C18H18N6O5S2.C3H8O2
Molecular Weight 538.597
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CEFATRIZINE PROPYLENE GLYCOLATE

SMILES

CC(O)CO.[H][C@]12SCC(CSC3=CN=NN3)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C4=CC=C(O)C=C4)C(O)=O

InChI

InChIKey=CKOIKOHDEYTLFR-PFBPGKLMSA-N
InChI=1S/C18H18N6O5S2.C3H8O2/c19-12(8-1-3-10(25)4-2-8)15(26)21-13-16(27)24-14(18(28)29)9(7-31-17(13)24)6-30-11-5-20-23-22-11;1-3(5)2-4/h1-5,12-13,17,25H,6-7,19H2,(H,21,26)(H,28,29)(H,20,22,23);3-5H,2H2,1H3/t12-,13-,17-;/m1./s1

HIDE SMILES / InChI

Molecular Formula C18H18N6O5S2
Molecular Weight 462.503
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C3H8O2
Molecular Weight 76.0944
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:57:12 UTC 2023
Edited
by admin
on Fri Dec 15 18:57:12 UTC 2023
Record UNII
3731IA5GI9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CEFATRIZINE PROPYLENE GLYCOLATE
Common Name English
CEFATRIZINE COMPD WITH PROPYLENE GLYCOL [MI]
Common Name English
5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-(((2R)-2-AMINO-2-(4-HYDROXYPHENYL)ACETYL)AMINO)-8-OXO-3-((1H-1,2,3-TRIAZOL-5-YLTHIO)METHYL)-, (6R,7R)-, COMPD. WITH 1,2-PROPANEDIOL (1:1)
Common Name English
CEFATRIZINE PROPYLENE GLYCOL [EP IMPURITY]
Common Name English
OROTRIC
Brand Name English
CEFATRIZINE PROPYLENEGLYCOLATE
WHO-DD  
Common Name English
SEAPURO
Brand Name English
CEFATRIZINE PROPYLENE GLYCOL [EP MONOGRAPH]
Common Name English
CEFATRIZINE PROPYLENE GLYCOL
EP   MART.  
Common Name English
CEFATRIZINE COMPD WITH PROPYLENE GLYCOL
MI  
Common Name English
CEFATRIZINE PROPYLENE GLYCOL [MART.]
Common Name English
Cefatrizine propyleneglycolate [WHO-DD]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C357
Created by admin on Fri Dec 15 18:57:13 UTC 2023 , Edited by admin on Fri Dec 15 18:57:13 UTC 2023
Code System Code Type Description
EPA CompTox
DTXSID00972733
Created by admin on Fri Dec 15 18:57:13 UTC 2023 , Edited by admin on Fri Dec 15 18:57:13 UTC 2023
PRIMARY
CAS
57235-40-2
Created by admin on Fri Dec 15 18:57:13 UTC 2023 , Edited by admin on Fri Dec 15 18:57:13 UTC 2023
NON-SPECIFIC STOICHIOMETRY
SMS_ID
100000091867
Created by admin on Fri Dec 15 18:57:13 UTC 2023 , Edited by admin on Fri Dec 15 18:57:13 UTC 2023
PRIMARY
EVMPD
SUB11797MIG
Created by admin on Fri Dec 15 18:57:13 UTC 2023 , Edited by admin on Fri Dec 15 18:57:13 UTC 2023
PRIMARY
CAS
64217-62-5
Created by admin on Fri Dec 15 18:57:13 UTC 2023 , Edited by admin on Fri Dec 15 18:57:13 UTC 2023
PRIMARY
PUBCHEM
6410757
Created by admin on Fri Dec 15 18:57:13 UTC 2023 , Edited by admin on Fri Dec 15 18:57:13 UTC 2023
PRIMARY
FDA UNII
3731IA5GI9
Created by admin on Fri Dec 15 18:57:13 UTC 2023 , Edited by admin on Fri Dec 15 18:57:13 UTC 2023
PRIMARY
MERCK INDEX
m3187
Created by admin on Fri Dec 15 18:57:13 UTC 2023 , Edited by admin on Fri Dec 15 18:57:13 UTC 2023
PRIMARY Merck Index
NCI_THESAURUS
C98215
Created by admin on Fri Dec 15 18:57:13 UTC 2023 , Edited by admin on Fri Dec 15 18:57:13 UTC 2023
PRIMARY
ECHA (EC/EINECS)
260-642-4
Created by admin on Fri Dec 15 18:57:13 UTC 2023 , Edited by admin on Fri Dec 15 18:57:13 UTC 2023
PRIMARY
ChEMBL
CHEMBL286398
Created by admin on Fri Dec 15 18:57:13 UTC 2023 , Edited by admin on Fri Dec 15 18:57:13 UTC 2023
PRIMARY
DRUG BANK
DBSALT002708
Created by admin on Fri Dec 15 18:57:13 UTC 2023 , Edited by admin on Fri Dec 15 18:57:13 UTC 2023
PRIMARY
Related Record Type Details
ANHYDROUS->SOLVATE
Related Record Type Details
IMPURITY -> PARENT
Related Record Type Details
ACTIVE MOIETY