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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H23ClN2O5S
Molecular Weight 486.968
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GCLE

SMILES

[H][C@]12SCC(CCl)=C(N1C(=O)[C@H]2NC(=O)CC3=CC=CC=C3)C(=O)OCC4=CC=C(OC)C=C4

InChI

InChIKey=KFCMZNUGNLCSJQ-NFBKMPQASA-N
InChI=1S/C24H23ClN2O5S/c1-31-18-9-7-16(8-10-18)13-32-24(30)21-17(12-25)14-33-23-20(22(29)27(21)23)26-19(28)11-15-5-3-2-4-6-15/h2-10,20,23H,11-14H2,1H3,(H,26,28)/t20-,23-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
GCLE
Common Name English
4-METHOXYBENZYL (6R,7R)-3-(CHLOROMETHYL)-8-OXO-7-((PHENYLACETYL)AMINO)-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLATE
Systematic Name English
GCLE:INTERMEDIATE FOR CEPHALOSPORIN
Common Name English
5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 3-(CHLOROMETHYL)-8-OXO-7-((PHENYLACETYL)AMINO)-, (4-METHOXYPHENYL)METHYL ESTER, (6R,7R)-
Common Name English
Code System Code Type Description
FDA UNII
T517UKN60D
Created by admin on Fri Dec 15 15:29:55 GMT 2023 , Edited by admin on Fri Dec 15 15:29:55 GMT 2023
PRIMARY
EPA CompTox
DTXSID101009945
Created by admin on Fri Dec 15 15:29:55 GMT 2023 , Edited by admin on Fri Dec 15 15:29:55 GMT 2023
PRIMARY
PUBCHEM
10874591
Created by admin on Fri Dec 15 15:29:55 GMT 2023 , Edited by admin on Fri Dec 15 15:29:55 GMT 2023
PRIMARY
CAS
104146-10-3
Created by admin on Fri Dec 15 15:29:55 GMT 2023 , Edited by admin on Fri Dec 15 15:29:55 GMT 2023
PRIMARY