U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C14H14ClN3O4S
Molecular Weight 355.797
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-[[(2R)-2-amino-2-phenylacetyl]amino]-2-(5-chloro-4-oxo-3,4-dihydro-2H-1,3-thiazin-2-yl)acetic acid

SMILES

[H][C@]1(NC(=O)C(Cl)=CS1)[C@H](NC(=O)[C@H](N)C2=CC=CC=C2)C(O)=O

InChI

InChIKey=DSKNHVUKATXSCQ-GBIKHYSHSA-N
InChI=1S/C14H14ClN3O4S/c15-8-6-23-13(18-11(8)19)10(14(21)22)17-12(20)9(16)7-4-2-1-3-5-7/h1-6,9-10,13H,16H2,(H,17,20)(H,18,19)(H,21,22)/t9-,10+,13-/m1/s1

HIDE SMILES / InChI

Molecular Formula C14H14ClN3O4S
Molecular Weight 355.797
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 19:15:15 GMT 2023
Edited
by admin
on Sat Dec 16 19:15:15 GMT 2023
Record UNII
RR9S2A3JZG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-[[(2R)-2-amino-2-phenylacetyl]amino]-2-(5-chloro-4-oxo-3,4-dihydro-2H-1,3-thiazin-2-yl)acetic acid
Systematic Name English
2H-1,3-Thiazine-2-acetic acid, α-[(aminophenylacetyl)amino]-5-chloro-3,4-dihydro-4-oxo-, [2R-[2R*[R*(R*)]]]-
Systematic Name English
CEFACLOR IMPURITY E [EP IMPURITY]
Common Name English
Code System Code Type Description
PUBCHEM
166451406
Created by admin on Sat Dec 16 19:15:16 GMT 2023 , Edited by admin on Sat Dec 16 19:15:16 GMT 2023
PRIMARY
FDA UNII
RR9S2A3JZG
Created by admin on Sat Dec 16 19:15:16 GMT 2023 , Edited by admin on Sat Dec 16 19:15:16 GMT 2023
PRIMARY
CAS
188915-50-6
Created by admin on Sat Dec 16 19:15:16 GMT 2023 , Edited by admin on Sat Dec 16 19:15:16 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY