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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H11N3O6S
Molecular Weight 337.308
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-(4-HYDROXYISOXAZOLE-3-CARBOXAMIDO)-8-OXO-3-VINYL-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, (6R,7R)-

SMILES

[H][C@]12SCC(C=C)=C(N1C(=O)[C@H]2NC(=O)C3=NOC=C3O)C(O)=O

InChI

InChIKey=FDZFCJHOKSKSPM-PRHODGIISA-N
InChI=1S/C13H11N3O6S/c1-2-5-4-23-12-8(11(19)16(12)9(5)13(20)21)14-10(18)7-6(17)3-22-15-7/h2-3,8,12,17H,1,4H2,(H,14,18)(H,20,21)/t8-,12-/m1/s1

HIDE SMILES / InChI

Molecular Formula C13H11N3O6S
Molecular Weight 337.308
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 06:42:40 UTC 2023
Edited
by admin
on Sat Dec 16 06:42:40 UTC 2023
Record UNII
0788M5CZWL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7-(4-HYDROXYISOXAZOLE-3-CARBOXAMIDO)-8-OXO-3-VINYL-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, (6R,7R)-
Common Name English
CEFDINIR ISOXAZOLE ANALOG
Common Name English
5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-(((4,5-DIHYDRO-4-OXO-3-ISOXAZOLYL)CARBONYL)AMINO)-3-ETHENYL-8-OXO-, (6R,7R)-
Common Name English
CEFDINIR IMPURITY F
Common Name English
(6R,7R)-7-(4-HYDROXYISOXAZOLE-3-CARBOXAMIDO)-8-OXO-3-VINYL-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID10159492
Created by admin on Sat Dec 16 06:42:40 UTC 2023 , Edited by admin on Sat Dec 16 06:42:40 UTC 2023
PRIMARY
CAS
1356842-10-8
Created by admin on Sat Dec 16 06:42:40 UTC 2023 , Edited by admin on Sat Dec 16 06:42:40 UTC 2023
PRIMARY
FDA UNII
0788M5CZWL
Created by admin on Sat Dec 16 06:42:40 UTC 2023 , Edited by admin on Sat Dec 16 06:42:40 UTC 2023
PRIMARY
PUBCHEM
57435809
Created by admin on Sat Dec 16 06:42:40 UTC 2023 , Edited by admin on Sat Dec 16 06:42:40 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
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