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

Details

Stereochemistry RACEMIC
Molecular Formula C17H27N3O3
Molecular Weight 321.4146
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CVT-2512

SMILES

CC1=CC=CC(C)=C1NC(=O)CN2CCN(CC(O)CO)CC2

InChI

InChIKey=LDEJNELBMSFPDJ-UHFFFAOYSA-N
InChI=1S/C17H27N3O3/c1-13-4-3-5-14(2)17(13)18-16(23)11-20-8-6-19(7-9-20)10-15(22)12-21/h3-5,15,21-22H,6-12H2,1-2H3,(H,18,23)

HIDE SMILES / InChI

Molecular Formula C17H27N3O3
Molecular Weight 321.4146
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 09:44:53 UTC 2023
Edited
by admin
on Sat Dec 16 09:44:53 UTC 2023
Record UNII
04210SF62M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CVT-2512
Common Name English
O-DESARYL RANOLAZINE
Common Name English
RS-88640
Code English
1-PIPERAZINEACETAMIDE, 4-(2,3-DIHYDROXYPROPYL)-N-(2,6-DIMETHYLPHENYL)-
Systematic Name English
Code System Code Type Description
CAS
172430-46-5
Created by admin on Sat Dec 16 09:44:53 UTC 2023 , Edited by admin on Sat Dec 16 09:44:53 UTC 2023
PRIMARY
EPA CompTox
DTXSID70675825
Created by admin on Sat Dec 16 09:44:53 UTC 2023 , Edited by admin on Sat Dec 16 09:44:53 UTC 2023
PRIMARY
PUBCHEM
46781239
Created by admin on Sat Dec 16 09:44:53 UTC 2023 , Edited by admin on Sat Dec 16 09:44:53 UTC 2023
PRIMARY
FDA UNII
04210SF62M
Created by admin on Sat Dec 16 09:44:53 UTC 2023 , Edited by admin on Sat Dec 16 09:44:53 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
By both CYP3A and CYP2D6
MAJOR
PLASMA