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

Details

Stereochemistry MIXED
Molecular Formula C14H15N5O6S2
Molecular Weight 413.429
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 3
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of (2R)-2-((Z)-2-(2-AMINOTHIAZOL-4-YL)-2-(HYDROXYIMINO)ACETAMIDO)2-((2RS,5RS)-5-METHYL-7-OXO-2,4,5,7-TETRAHYDRO-1H-FURO(3,4-D)(1,3)THIAZIN-2-YL)ACETIC ACID

SMILES

CC1OC(=O)C2=C1CSC(N2)[C@H](NC(=O)C(=N/O)\C3=CSC(N)=N3)C(O)=O

InChI

InChIKey=DKFLDACXFQGVEO-YJHPLJFSSA-N
InChI=1S/C14H15N5O6S2/c1-4-5-2-26-11(18-7(5)13(23)25-4)9(12(21)22)17-10(20)8(19-24)6-3-27-14(15)16-6/h3-4,9,11,18,24H,2H2,1H3,(H2,15,16)(H,17,20)(H,21,22)/b19-8-/t4?,9-,11?/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
(2R)-2-((Z)-2-(2-AMINOTHIAZOL-4-YL)-2-(HYDROXYIMINO)ACETAMIDO)2-((2RS,5RS)-5-METHYL-7-OXO-2,4,5,7-TETRAHYDRO-1H-FURO(3,4-D)(1,3)THIAZIN-2-YL)ACETIC ACID
Systematic Name English
CEFDINIR RELATED COMPOUND A [USP IMPURITY]
Common Name English
CEFDINIR RELATED COMPOUND A [USP-RS]
Common Name English
CEFDINIR RELATED COMPOUND A
USP   USP-RS  
Common Name English
Code System Code Type Description
CAS
178422-42-9
Created by admin on Sat Dec 16 06:43:47 GMT 2023 , Edited by admin on Sat Dec 16 06:43:47 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
FDA UNII
5U6BX3A1F6
Created by admin on Sat Dec 16 06:43:47 GMT 2023 , Edited by admin on Sat Dec 16 06:43:47 GMT 2023
PRIMARY
RS_ITEM_NUM
1097625
Created by admin on Sat Dec 16 06:43:47 GMT 2023 , Edited by admin on Sat Dec 16 06:43:47 GMT 2023
PRIMARY
PUBCHEM
71587584
Created by admin on Sat Dec 16 06:43:47 GMT 2023 , Edited by admin on Sat Dec 16 06:43:47 GMT 2023
PRIMARY