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

Details

Stereochemistry EPIMERIC
Molecular Formula C16H19N3O5S
Molecular Weight 365.404
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CEFRADINE OXIDE D

SMILES

[H][C@@]12[C@H](NC(=O)[C@H](N)C3=CCC=CC3)C(=O)N1C(C(O)=O)=C(C)C[S+]2[O-]

InChI

InChIKey=ZYFCHBXHNPVJAF-RGDUGRAGSA-N
InChI=1S/C16H19N3O5S/c1-8-7-25(24)15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-3,6,10-11,15H,4-5,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-,25?/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H19N3O5S
Molecular Weight 365.404
Charge 0
Count
Stereochemistry ABSOLUTE
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 19:05:14 GMT 2023
Edited
by admin
on Sat Dec 16 19:05:14 GMT 2023
Record UNII
QXP69Z5JWA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CEFRADINE OXIDE D
Common Name English
CEFRADINE IMPURITY C AND D [EP IMPURITY]
Common Name English
5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-(((2R)-2-AMINO-2-(1,4-CYCLOHEXADIEN-1-YL)ACETYL)AMINO)-3-METHYL-8-OXO-, 5-OXIDE, (6R,7R)-
Systematic Name English
Code System Code Type Description
PUBCHEM
157010648
Created by admin on Sat Dec 16 19:05:14 GMT 2023 , Edited by admin on Sat Dec 16 19:05:14 GMT 2023
PRIMARY
FDA UNII
QXP69Z5JWA
Created by admin on Sat Dec 16 19:05:14 GMT 2023 , Edited by admin on Sat Dec 16 19:05:14 GMT 2023
PRIMARY
CAS
2111133-51-6
Created by admin on Sat Dec 16 19:05:14 GMT 2023 , Edited by admin on Sat Dec 16 19:05:14 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP