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

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H29N3O6S.C13H19NO4S
Molecular Weight 748.906
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PIVAMPICILLIN PROBENATE

SMILES

CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(O)=O.[H][C@]23SC(C)(C)[C@@H](N2C(=O)[C@H]3NC(=O)[C@H](N)C4=CC=CC=C4)C(=O)OCOC(=O)C(C)(C)C

InChI

InChIKey=LKZFWYIOFQDUMO-GLCLSGQWSA-N
InChI=1S/C22H29N3O6S.C13H19NO4S/c1-21(2,3)20(29)31-11-30-19(28)15-22(4,5)32-18-14(17(27)25(15)18)24-16(26)13(23)12-9-7-6-8-10-12;1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h6-10,13-15,18H,11,23H2,1-5H3,(H,24,26);5-8H,3-4,9-10H2,1-2H3,(H,15,16)/t13-,14-,15+,18-;/m1./s1

HIDE SMILES / InChI

Molecular Formula C22H29N3O6S
Molecular Weight 463.547
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C13H19NO4S
Molecular Weight 285.359
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:38:52 UTC 2023
Edited
by admin
on Fri Dec 15 15:38:52 UTC 2023
Record UNII
M3MYK6R22U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PIVAMPICILLIN PROBENATE
USAN  
USAN  
Official Name English
PIVAMPICILLIN PROBENATE [USAN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C1500
Created by admin on Fri Dec 15 15:38:52 UTC 2023 , Edited by admin on Fri Dec 15 15:38:52 UTC 2023
Code System Code Type Description
CAS
42190-91-0
Created by admin on Fri Dec 15 15:38:52 UTC 2023 , Edited by admin on Fri Dec 15 15:38:52 UTC 2023
PRIMARY
MESH
C012649
Created by admin on Fri Dec 15 15:38:52 UTC 2023 , Edited by admin on Fri Dec 15 15:38:52 UTC 2023
PRIMARY
FDA UNII
M3MYK6R22U
Created by admin on Fri Dec 15 15:38:52 UTC 2023 , Edited by admin on Fri Dec 15 15:38:52 UTC 2023
PRIMARY
EPA CompTox
DTXSID00195021
Created by admin on Fri Dec 15 15:38:52 UTC 2023 , Edited by admin on Fri Dec 15 15:38:52 UTC 2023
PRIMARY
PUBCHEM
65322
Created by admin on Fri Dec 15 15:38:52 UTC 2023 , Edited by admin on Fri Dec 15 15:38:52 UTC 2023
PRIMARY
NCI_THESAURUS
C66441
Created by admin on Fri Dec 15 15:38:52 UTC 2023 , Edited by admin on Fri Dec 15 15:38:52 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY