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

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H28N4O4
Molecular Weight 376.4508
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PF-03550096

SMILES

CC(C)(C)[C@@]([H])(C(=N)O)N=C(n1c2ccccc2n(CCC(C)(C)O)c1=O)O

InChI

InChIKey=GGNIFXBIJCNXCT-CQSZACIVSA-N
InChI=1S/C19H28N4O4/c1-18(2,3)14(15(20)24)21-16(25)23-13-9-7-6-8-12(13)22(17(23)26)11-10-19(4,5)27/h6-9,14,27H,10-11H2,1-5H3,(H2,20,24)(H,21,25)/t14-/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H28N4O4
Molecular Weight 376.4508
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 12:48:51 UTC 2021
Edited
by admin
on Sat Jun 26 12:48:51 UTC 2021
Record UNII
E8S33VNW75
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PF-03550096
Common Name English
N-((1S)-1-(AMINOCARBONYL)-2,2-DIMETHYLPROPYL)-2,3-DIHYDRO-3-(3-HYDROXY-3-METHYLBUTYL)-2-OXO-1H-BENZIMIDAZOLE-1-CARBOXAMIDE
Systematic Name English
1H-BENZIMIDAZOLE-1-CARBOXAMIDE, N-((1S)-1-(AMINOCARBONYL)-2,2-DIMETHYLPROPYL)-2,3-DIHYDRO-3-(3-HYDROXY-3-METHYLBUTYL)-2-OXO-
Systematic Name English
Code System Code Type Description
FDA UNII
E8S33VNW75
Created by admin on Sat Jun 26 12:48:52 UTC 2021 , Edited by admin on Sat Jun 26 12:48:52 UTC 2021
PRIMARY
PUBCHEM
24857887
Created by admin on Sat Jun 26 12:48:52 UTC 2021 , Edited by admin on Sat Jun 26 12:48:52 UTC 2021
PRIMARY
CAS
910376-39-5
Created by admin on Sat Jun 26 12:48:52 UTC 2021 , Edited by admin on Sat Jun 26 12:48:52 UTC 2021
PRIMARY
Related Record Type Details
TARGET -> AGONIST
TARGET -> AGONIST