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

Details

Stereochemistry ABSOLUTE
Molecular Formula C26H32ClN3O2
Molecular Weight 454.004
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of OPC-51803

SMILES

CC(C)NC(=O)C[C@H]1CCCN(C(=O)C2=CC=C(C=C2Cl)N3CCCC3)C4=CC=CC=C14

InChI

InChIKey=INGXCNVWWKKWOO-LJQANCHMSA-N
InChI=1S/C26H32ClN3O2/c1-18(2)28-25(31)16-19-8-7-15-30(24-10-4-3-9-21(19)24)26(32)22-12-11-20(17-23(22)27)29-13-5-6-14-29/h3-4,9-12,17-19H,5-8,13-16H2,1-2H3,(H,28,31)/t19-/m1/s1

HIDE SMILES / InChI

Molecular Formula C26H32ClN3O2
Molecular Weight 454.004
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 Fri Dec 15 18:54:26 GMT 2023
Edited
by admin
on Fri Dec 15 18:54:26 GMT 2023
Record UNII
1IGV6WTK9I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
OPC-51803
Code English
1H-1-BENZAZEPINE-5-ACETAMIDE, 1-(2-CHLORO-4-(1-PYRROLIDINYL)BENZOYL)-2,3,4,5-TETRAHYDRO-N-(1-METHYLETHYL)-, (R)-
Systematic Name English
(-)-OPC-51803
Common Name English
1H-1-BENZAZEPINE-5-ACETAMIDE, 1-(2-CHLORO-4-(1-PYRROLIDINYL)BENZOYL)-2,3,4,5-TETRAHYDRO-N-(1-METHYLETHYL)-, (5R)-
Systematic Name English
Code System Code Type Description
FDA UNII
1IGV6WTK9I
Created by admin on Fri Dec 15 18:54:26 GMT 2023 , Edited by admin on Fri Dec 15 18:54:26 GMT 2023
PRIMARY
DRUG BANK
DB05838
Created by admin on Fri Dec 15 18:54:26 GMT 2023 , Edited by admin on Fri Dec 15 18:54:26 GMT 2023
PRIMARY
EPA CompTox
DTXSID50172847
Created by admin on Fri Dec 15 18:54:26 GMT 2023 , Edited by admin on Fri Dec 15 18:54:26 GMT 2023
PRIMARY
CAS
192514-54-8
Created by admin on Fri Dec 15 18:54:26 GMT 2023 , Edited by admin on Fri Dec 15 18:54:26 GMT 2023
PRIMARY
PUBCHEM
3038506
Created by admin on Fri Dec 15 18:54:26 GMT 2023 , Edited by admin on Fri Dec 15 18:54:26 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY