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

Details

Stereochemistry ABSOLUTE
Molecular Formula C17H16N3O6S.Na
Molecular Weight 413.38
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM 7-(3-PYRIDYLACETAMIDO)CEPHALOSPORANATE

SMILES

[Na+].[H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)CC3=CC=CN=C3)C([O-])=O

InChI

InChIKey=FHKBJLXSWCPIRG-OALZAMAHSA-M
InChI=1S/C17H17N3O6S.Na/c1-9(21)26-7-11-8-27-16-13(15(23)20(16)14(11)17(24)25)19-12(22)5-10-3-2-4-18-6-10;/h2-4,6,13,16H,5,7-8H2,1H3,(H,19,22)(H,24,25);/q;+1/p-1/t13-,16-;/m1./s1

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C17H16N3O6S
Molecular Weight 390.39
Charge -1
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 Fri Dec 15 15:19:05 GMT 2023
Edited
by admin
on Fri Dec 15 15:19:05 GMT 2023
Record UNII
E3Z9HB7794
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SODIUM 7-(3-PYRIDYLACETAMIDO)CEPHALOSPORANATE
Common Name English
5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 3-((ACETYLOXY)METHYL)-8-OXO-7-((3-PYRIDINYLACETYL)AMINO)-, MONOSODIUM SALT, (6R-TRANS)-
Systematic Name English
Code System Code Type Description
FDA UNII
E3Z9HB7794
Created by admin on Fri Dec 15 15:19:05 GMT 2023 , Edited by admin on Fri Dec 15 15:19:05 GMT 2023
PRIMARY
CAS
23294-22-6
Created by admin on Fri Dec 15 15:19:05 GMT 2023 , Edited by admin on Fri Dec 15 15:19:05 GMT 2023
PRIMARY
PUBCHEM
137321726
Created by admin on Fri Dec 15 15:19:05 GMT 2023 , Edited by admin on Fri Dec 15 15:19:05 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE