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Details

Stereochemistry EPIMERIC
Molecular Formula C15H14ClN3O4S
Molecular Weight 367.807
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-[[(2R)-aminophenylacetyl]amino]-3-chloro-8-oxo-5-Thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid, (6R,7R)-

SMILES

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

InChI

InChIKey=UPMVPDSZPOOATN-ULZUWYFZSA-N
InChI=1S/C15H14ClN3O4S/c16-8-6-24-14-10(13(21)19(14)11(8)15(22)23)18-12(20)9(17)7-4-2-1-3-5-7/h1-6,9-11,14H,17H2,(H,18,20)(H,22,23)/t9-,10-,11?,14-/m1/s1

HIDE SMILES / InChI

Molecular Formula C15H14ClN3O4S
Molecular Weight 367.807
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 19:27:39 UTC 2023
Edited
by admin
on Sat Dec 16 19:27:39 UTC 2023
Record UNII
QBD8CQ4TN8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7-[[(2R)-aminophenylacetyl]amino]-3-chloro-8-oxo-5-Thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid, (6R,7R)-
Systematic Name English
CEFACLOR IMPURITY D [EP IMPURITY]
Common Name English
(2RS,6R,7R)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-chloro-8-oxo-5-thia- 1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid
Systematic Name English
5-Thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid, 7-[(aminophenylacetyl)amino]-3-chloro-8-oxo-, [6R-[6α,7β(R*)]]-
Systematic Name English
5-Thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid, 7-[[(2R)-aminophenylacetyl]amino]-3-chloro-8-oxo-, (6R,7R)-
Systematic Name English
Delta-3-cefaclor
Systematic Name English
Code System Code Type Description
FDA UNII
QBD8CQ4TN8
Created by admin on Sat Dec 16 19:27:39 UTC 2023 , Edited by admin on Sat Dec 16 19:27:39 UTC 2023
PRIMARY
PUBCHEM
101170203
Created by admin on Sat Dec 16 19:27:39 UTC 2023 , Edited by admin on Sat Dec 16 19:27:39 UTC 2023
PRIMARY
CAS
152575-13-8
Created by admin on Sat Dec 16 19:27:39 UTC 2023 , Edited by admin on Sat Dec 16 19:27:39 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY