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

Details

Stereochemistry ABSOLUTE
Molecular Formula C15H16N3O4S.K
Molecular Weight 373.469
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-PYRIDYLMETHYL PENICILLIN POTASSIUM

SMILES

[K+].CC1(C)S[C@@H]2[C@H](NC(=O)CC3=CC=CN=C3)C(=O)N2[C@H]1C([O-])=O

InChI

InChIKey=FIXRMVGFOBYBIH-GYBQEXSMSA-M
InChI=1S/C15H17N3O4S.K/c1-15(2)11(14(21)22)18-12(20)10(13(18)23-15)17-9(19)6-8-4-3-5-16-7-8;/h3-5,7,10-11,13H,6H2,1-2H3,(H,17,19)(H,21,22);/q;+1/p-1/t10-,11+,13-;/m1./s1

HIDE SMILES / InChI

Molecular Formula C15H16N3O4S
Molecular Weight 334.37
Charge -1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula K
Molecular Weight 39.0983
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Oct 22 13:36:13 UTC 2019
Edited
by admin
on Tue Oct 22 13:36:13 UTC 2019
Record UNII
5J2ZD73CZN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-PYRIDYLMETHYL PENICILLIN POTASSIUM
Common Name English
4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 3,3-DIMETHYL-7-OXO-6-(((3-PYRIDINYL)ACETYL)AMINO)-, MONOPOTASSIUM SALT, (2S-(2.ALPHA.,5.ALPHA.,6.BETA.))-
Systematic Name English
4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 3,3-DIMETHYL-7-OXO-6-(2-(3-PYRIDYL)ACETAMIDO)-, POTASSIUM SALT
Common Name English
3-PYRIDYLMETHYL PENICILLIN POTASSIUM SALT
Common Name English
Code System Code Type Description
EPA CompTox
3864-71-9
Created by admin on Tue Oct 22 13:36:13 UTC 2019 , Edited by admin on Tue Oct 22 13:36:13 UTC 2019
PRIMARY
CAS
3864-71-9
Created by admin on Tue Oct 22 13:36:13 UTC 2019 , Edited by admin on Tue Oct 22 13:36:13 UTC 2019
PRIMARY
PUBCHEM
119025673
Created by admin on Tue Oct 22 13:36:13 UTC 2019 , Edited by admin on Tue Oct 22 13:36:13 UTC 2019
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY