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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H18N4O5S3
Molecular Weight 478.565
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CEFCANEL

SMILES

[H][C@]12SCC(CSC3=NN=C(C)S3)=C(N1C(=O)[C@H]2NC(=O)[C@H](O)C4=CC=CC=C4)C(O)=O

InChI

InChIKey=VDFFPBOAOLQAJV-SUYBPPKGSA-N
InChI=1S/C19H18N4O5S3/c1-9-21-22-19(31-9)30-8-11-7-29-17-12(16(26)23(17)13(11)18(27)28)20-15(25)14(24)10-5-3-2-4-6-10/h2-6,12,14,17,24H,7-8H2,1H3,(H,20,25)(H,27,28)/t12-,14-,17-/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H18N4O5S3
Molecular Weight 478.565
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 17:11:08 UTC 2023
Edited
by admin
on Sat Dec 16 17:11:08 UTC 2023
Record UNII
2F5V2R6VX8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CEFCANEL
INN   WHO-DD  
INN  
Official Name English
cefcanel [INN]
Common Name English
(6R,7R)-7-((R)-MANDELAMIDO)-3-(((5-METHYL-1,3,4-THIADIAZOL-2-YL)THIO)METHYL)-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID
Common Name English
Cefcanel [WHO-DD]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C357
Created by admin on Sat Dec 16 17:11:08 UTC 2023 , Edited by admin on Sat Dec 16 17:11:08 UTC 2023
Code System Code Type Description
NCI_THESAURUS
C76158
Created by admin on Sat Dec 16 17:11:08 UTC 2023 , Edited by admin on Sat Dec 16 17:11:08 UTC 2023
PRIMARY
MESH
C022605
Created by admin on Sat Dec 16 17:11:08 UTC 2023 , Edited by admin on Sat Dec 16 17:11:08 UTC 2023
PRIMARY
INN
6292
Created by admin on Sat Dec 16 17:11:08 UTC 2023 , Edited by admin on Sat Dec 16 17:11:08 UTC 2023
PRIMARY
EPA CompTox
DTXSID00866067
Created by admin on Sat Dec 16 17:11:08 UTC 2023 , Edited by admin on Sat Dec 16 17:11:08 UTC 2023
PRIMARY
FDA UNII
2F5V2R6VX8
Created by admin on Sat Dec 16 17:11:08 UTC 2023 , Edited by admin on Sat Dec 16 17:11:08 UTC 2023
PRIMARY
PUBCHEM
68666
Created by admin on Sat Dec 16 17:11:08 UTC 2023 , Edited by admin on Sat Dec 16 17:11:08 UTC 2023
PRIMARY
EVMPD
SUB07381MIG
Created by admin on Sat Dec 16 17:11:08 UTC 2023 , Edited by admin on Sat Dec 16 17:11:08 UTC 2023
PRIMARY
ChEMBL
CHEMBL1908354
Created by admin on Sat Dec 16 17:11:08 UTC 2023 , Edited by admin on Sat Dec 16 17:11:08 UTC 2023
PRIMARY
SMS_ID
100000081794
Created by admin on Sat Dec 16 17:11:08 UTC 2023 , Edited by admin on Sat Dec 16 17:11:08 UTC 2023
PRIMARY
CAS
41952-52-7
Created by admin on Sat Dec 16 17:11:08 UTC 2023 , Edited by admin on Sat Dec 16 17:11:08 UTC 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY