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

Details

Stereochemistry EPIMERIC
Molecular Formula C18H19N3O5S
Molecular Weight 389.426
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 4
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of (6R,7R)-7-((R)-2-AMINO-2-(4-HYDROXYPHENYL)ACETAMIDO)-8-OXO-3-((Z)-PROP-1-EN-1-YL)-5-THIA-1-AZABICYCLO(4.2.0)OCT-3-ENE-2-CARBOXYLIC ACID

SMILES

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

InChI

InChIKey=XVODGAGODXWUEH-OAYHDYIPSA-N
InChI=1S/C18H19N3O5S/c1-2-3-10-8-27-17-13(16(24)21(17)14(10)18(25)26)20-15(23)12(19)9-4-6-11(22)7-5-9/h2-8,12-14,17,22H,19H2,1H3,(H,20,23)(H,25,26)/b3-2-/t12-,13-,14?,17-/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H19N3O5S
Molecular Weight 389.426
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 3 / 4
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:20:06 GMT 2023
Edited
by admin
on Sat Dec 16 15:20:06 GMT 2023
Record UNII
943R0XQ363
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(6R,7R)-7-((R)-2-AMINO-2-(4-HYDROXYPHENYL)ACETAMIDO)-8-OXO-3-((Z)-PROP-1-EN-1-YL)-5-THIA-1-AZABICYCLO(4.2.0)OCT-3-ENE-2-CARBOXYLIC ACID
Systematic Name English
CEFPROZIL DELTA-3 ISOMER
Common Name English
5-THIA-1-AZABICYCLO(4.2.0)OCT-3-ENE-2-CARBOXYLIC ACID, 7-(((2R)-2-AMINO-2-(4-HYDROXYPHENYL)ACETYL)AMINO)-8-OXO-3-(1Z)-1-PROPEN-1-YL-, (6R,7R)-
Systematic Name English
CEFPROZIL DELTA-3 ISOMER [USP IMPURITY]
Common Name English
Code System Code Type Description
PUBCHEM
154572873
Created by admin on Sat Dec 16 15:20:07 GMT 2023 , Edited by admin on Sat Dec 16 15:20:07 GMT 2023
PRIMARY
FDA UNII
943R0XQ363
Created by admin on Sat Dec 16 15:20:07 GMT 2023 , Edited by admin on Sat Dec 16 15:20:07 GMT 2023
PRIMARY
CAS
1000980-59-5
Created by admin on Sat Dec 16 15:20:07 GMT 2023 , Edited by admin on Sat Dec 16 15:20:07 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP