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Details

Stereochemistry EPIMERIC
Molecular Formula C16H17N3O4S
Molecular Weight 347.389
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Isocefalexin

SMILES

[H][C@]12SCC(=C)C(N1C(=O)[C@H]2NC(=O)[C@H](N)C3=CC=CC=C3)C(O)=O

InChI

InChIKey=LROYCRSHQNGOQU-XOGJBXBPSA-N
InChI=1S/C16H17N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-6,10-12,15H,1,7,17H2,(H,18,20)(H,22,23)/t10-,11-,12?,15-/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H17N3O4S
Molecular Weight 347.389
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 3 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:33:19 UTC 2023
Edited
by admin
on Sat Dec 16 19:33:19 UTC 2023
Record UNII
YUK95YEL4R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Isocefalexin
Common Name English
5-Thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid, 7-[(aminophenylacetyl)amino]-3-methylene-8-oxo-, [6R-[6α,7β(R*)]]-
Systematic Name English
CEFACLOR IMPURITY G [EP IMPURITY]
Common Name English
(2R,6R,7R)- and (2S,6R,7R)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methylene-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid
Systematic Name English
Code System Code Type Description
FDA UNII
YUK95YEL4R
Created by admin on Sat Dec 16 19:33:19 UTC 2023 , Edited by admin on Sat Dec 16 19:33:19 UTC 2023
PRIMARY
CAS
67308-21-8
Created by admin on Sat Dec 16 19:33:19 UTC 2023 , Edited by admin on Sat Dec 16 19:33:19 UTC 2023
PRIMARY
PUBCHEM
129627287
Created by admin on Sat Dec 16 19:33:19 UTC 2023 , Edited by admin on Sat Dec 16 19:33:19 UTC 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
Related Record Type Details
PARENT -> IMPURITY