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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H17N4O4S.Na
Molecular Weight 420.417
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(3-PHENYLPYRAZINYL)PENICILLIN SODIUM

SMILES

[Na+].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C3=NC=CN=C3C4=CC=CC=C4)C([O-])=O

InChI

InChIKey=ZLPLEFSTUBLHDL-SLINCCQESA-M
InChI=1S/C19H18N4O4S.Na/c1-19(2)14(18(26)27)23-16(25)13(17(23)28-19)22-15(24)12-11(20-8-9-21-12)10-6-4-3-5-7-10;/h3-9,13-14,17H,1-2H3,(H,22,24)(H,26,27);/q;+1/p-1/t13-,14+,17-;/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 C19H17N4O4S
Molecular Weight 397.428
Charge -1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:03:04 GMT 2023
Edited
by admin
on Fri Dec 15 15:03:04 GMT 2023
Record UNII
ZGP7Y7UX3A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(3-PHENYLPYRAZINYL)PENICILLIN SODIUM
Common Name English
6-(2'-PHENYL-3'-PYRAZINECARBOXAMIDO)PENICILLIN SODIUM
Common Name English
SODIUM 2-(3-PHENYLPYRAZINOYL) PENICILLINATE
Common Name English
4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 3,3-DIMETHYL-7-OXO-6-(((3-PHENYLPYRAZINYL)CARBONYL)AMINO)-, MONOSODIUM SALT, (2S-(2.ALPHA.,5.ALPHA.,6.BETA.))-
Systematic Name English
Code System Code Type Description
CAS
5893-99-2
Created by admin on Fri Dec 15 15:03:04 GMT 2023 , Edited by admin on Fri Dec 15 15:03:04 GMT 2023
PRIMARY
FDA UNII
ZGP7Y7UX3A
Created by admin on Fri Dec 15 15:03:04 GMT 2023 , Edited by admin on Fri Dec 15 15:03:04 GMT 2023
PRIMARY
PUBCHEM
133082231
Created by admin on Fri Dec 15 15:03:04 GMT 2023 , Edited by admin on Fri Dec 15 15:03:04 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE