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

Details

Stereochemistry ACHIRAL
Molecular Formula C24H27N3O2
Molecular Weight 388.4908
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CP-126998 C-11

SMILES

[11CH3]N1C(=O)CC2=CC3=C(ON=C3CCC4CCN(CC5=CC=CC=C5)CC4)C=C12

InChI

InChIKey=GBRYDMXCJVBJHH-BJUDXGSMSA-N
InChI=1S/C24H27N3O2/c1-26-22-15-23-20(13-19(22)14-24(26)28)21(25-29-23)8-7-17-9-11-27(12-10-17)16-18-5-3-2-4-6-18/h2-6,13,15,17H,7-12,14,16H2,1H3/i1-1

HIDE SMILES / InChI

Molecular Formula C24H27N3O2
Molecular Weight 388.4908
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 15:48:18 UTC 2023
Edited
by admin
on Fri Dec 15 15:48:18 UTC 2023
Record UNII
RPZ9K86N7G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CP-126998 C-11
Code English
5,7-DIHYDRO-7-METHYL-3-(2-(1-(PHENYLMETHYL)-4-PIPERIDYL)ETHYL)-6H-PYRROLO(3,2-F)-1,2-BENZISOXAZOLE-6-ONE, C-11
Common Name English
6H-PYRROLO(3,2-F)-1,2-BENZISOXAZOL-6-ONE, 5,7-DIHYDRO-7-(METHYL-11C)-3-(2-(1-(PHENYLMETHYL)-4-PIPERIDINYL)ETHYL)-
Systematic Name English
(11C)CP-126,998
Code English
Code System Code Type Description
FDA UNII
RPZ9K86N7G
Created by admin on Fri Dec 15 15:48:18 UTC 2023 , Edited by admin on Fri Dec 15 15:48:18 UTC 2023
PRIMARY
CAS
303728-79-2
Created by admin on Fri Dec 15 15:48:18 UTC 2023 , Edited by admin on Fri Dec 15 15:48:18 UTC 2023
PRIMARY
PUBCHEM
9930206
Created by admin on Fri Dec 15 15:48:18 UTC 2023 , Edited by admin on Fri Dec 15 15:48:18 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> DERIVATIVE
NON-LABELED -> LABELED