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Details

Stereochemistry RACEMIC
Molecular Formula C14H21N3O3
Molecular Weight 279.3348
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CGP-12177, (±)-

SMILES

CC(C)(C)NCC(O)COC1=C2NC(=O)NC2=CC=C1

InChI

InChIKey=UMQUQWCJKFOUGV-UHFFFAOYSA-N
InChI=1S/C14H21N3O3/c1-14(2,3)15-7-9(18)8-20-11-6-4-5-10-12(11)17-13(19)16-10/h4-6,9,15,18H,7-8H2,1-3H3,(H2,16,17,19)

HIDE SMILES / InChI

Molecular Formula C14H21N3O3
Molecular Weight 279.3348
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:23:54 UTC 2023
Edited
by admin
on Sat Dec 16 08:23:54 UTC 2023
Record UNII
R89UMZ82MJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CGP-12177, (±)-
Code English
(±)-CGP-12177
Code English
4-(3-(TERT-BUTYLAMINO)-2-HYDROXYPROPOXY)-1,3-DIHYDROBENZIMIDAZOL-2-ONE
Systematic Name English
2H-BENZIMIDAZOL-2-ONE, 4-(3-((1,1-DIMETHYLETHYL)AMINO)-2-HYDROXYPROPOXY)-1,3-DIHYDRO-
Systematic Name English
CGP 12177
Code English
Code System Code Type Description
FDA UNII
R89UMZ82MJ
Created by admin on Sat Dec 16 08:23:54 UTC 2023 , Edited by admin on Sat Dec 16 08:23:54 UTC 2023
PRIMARY
EPA CompTox
DTXSID901001733
Created by admin on Sat Dec 16 08:23:54 UTC 2023 , Edited by admin on Sat Dec 16 08:23:54 UTC 2023
PRIMARY
PUBCHEM
2687
Created by admin on Sat Dec 16 08:23:54 UTC 2023 , Edited by admin on Sat Dec 16 08:23:54 UTC 2023
PRIMARY
CAS
81047-99-6
Created by admin on Sat Dec 16 08:23:54 UTC 2023 , Edited by admin on Sat Dec 16 08:23:54 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
TARGET -> INHIBITOR
TARGET -> AGONIST