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

Details

Stereochemistry RACEMIC
Molecular Formula C22H29N3O3.ClH
Molecular Weight 419.945
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-(5-(DIETHYLAMINO)-1-PHENYLPENTYL)-4-NITROBENZAMIDE HYDROCHLORIDE

SMILES

Cl.CCN(CC)CCCCC(NC(=O)C1=CC=C(C=C1)[N+]([O-])=O)C2=CC=CC=C2

InChI

InChIKey=CHCBAYRWJULIDW-UHFFFAOYSA-N
InChI=1S/C22H29N3O3.ClH/c1-3-24(4-2)17-9-8-12-21(18-10-6-5-7-11-18)23-22(26)19-13-15-20(16-14-19)25(27)28;/h5-7,10-11,13-16,21H,3-4,8-9,12,17H2,1-2H3,(H,23,26);1H

HIDE SMILES / InChI

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

Molecular Formula C22H29N3O3
Molecular Weight 383.484
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Targets

Targets

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:15:31 GMT 2023
Edited
by admin
on Sat Dec 16 11:15:31 GMT 2023
Record UNII
N4S59ZCS33
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-(5-(DIETHYLAMINO)-1-PHENYLPENTYL)-4-NITROBENZAMIDE HYDROCHLORIDE
Systematic Name English
NIBENTAN
Common Name English
1-PHENYL-1-((P-NITROBENZOYL)AMINO)-5-(N,N-DIETHYLAMINO)PENTANE HYDROCHLORIDE
Systematic Name English
BENZAMIDE, N-(5-(DIETHYLAMINO)-1-PHENYLPENTYL)-4-NITRO-, HYDROCHLORIDE (1:1)
Systematic Name English
Nibentan [WHO-DD]
Common Name English
Code System Code Type Description
PUBCHEM
177905
Created by admin on Sat Dec 16 11:15:31 GMT 2023 , Edited by admin on Sat Dec 16 11:15:31 GMT 2023
PRIMARY
FDA UNII
N4S59ZCS33
Created by admin on Sat Dec 16 11:15:31 GMT 2023 , Edited by admin on Sat Dec 16 11:15:31 GMT 2023
PRIMARY
CAS
157832-56-9
Created by admin on Sat Dec 16 11:15:31 GMT 2023 , Edited by admin on Sat Dec 16 11:15:31 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE