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

Details

Stereochemistry ACHIRAL
Molecular Formula C26H35N3O2.ClH
Molecular Weight 458.036
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of OPC-28326 ANHYDROUS

SMILES

Cl.CCC(=O)NC1=C(C)C=C(C=C1C)C(=O)N2CCC(CC2)N(C)CCC3=CC=CC=C3

InChI

InChIKey=ADNUSXMBYGPKTH-UHFFFAOYSA-N
InChI=1S/C26H35N3O2.ClH/c1-5-24(30)27-25-19(2)17-22(18-20(25)3)26(31)29-15-12-23(13-16-29)28(4)14-11-21-9-7-6-8-10-21;/h6-10,17-18,23H,5,11-16H2,1-4H3,(H,27,30);1H

HIDE SMILES / InChI

Molecular Formula C26H35N3O2
Molecular Weight 421.575
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula ClH
Molecular Weight 36.461
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 Sat Dec 16 13:41:19 UTC 2023
Edited
by admin
on Sat Dec 16 13:41:19 UTC 2023
Record UNII
LE5Y6NVZ3S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
OPC-28326 ANHYDROUS
Code English
4-(N-METHYL-2-PHENYLETHYLAMINO)-1-(3, 5-DIMETHYL-4-PROPIONYLAMINOBENZOYL)PIPERIDINE HYDROCHLORIDE
Official Name English
PROPANAMIDE, N-(2,6-DIMETHYL-4-((4-(METHYL(2-PHENYLETHYL)AMINO)-1-PIPERIDINYL)CARBONYL)PHENYL)-, HYDROCHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID20168338
Created by admin on Sat Dec 16 13:41:19 UTC 2023 , Edited by admin on Sat Dec 16 13:41:19 UTC 2023
PRIMARY
CAS
167621-24-1
Created by admin on Sat Dec 16 13:41:19 UTC 2023 , Edited by admin on Sat Dec 16 13:41:19 UTC 2023
PRIMARY
FDA UNII
LE5Y6NVZ3S
Created by admin on Sat Dec 16 13:41:19 UTC 2023 , Edited by admin on Sat Dec 16 13:41:19 UTC 2023
PRIMARY
PUBCHEM
219019
Created by admin on Sat Dec 16 13:41:19 UTC 2023 , Edited by admin on Sat Dec 16 13:41:19 UTC 2023
PRIMARY
Related Record Type Details
SOLVATE->ANHYDROUS
PARENT -> SALT/SOLVATE