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

Details

Stereochemistry ACHIRAL
Molecular Formula C14H17N3O3.ClH
Molecular Weight 311.764
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,2,5,6-TETRAHYDRO-1,3-DIMETHYL-4-(4-NITROBENZAMIDO)PYRIDINE HYDROCHLORIDE

SMILES

Cl.CN1CCC(NC(=O)C2=CC=C(C=C2)[N+]([O-])=O)=C(C)C1

InChI

InChIKey=OICRUMKXGSRCAH-UHFFFAOYSA-N
InChI=1S/C14H17N3O3.ClH/c1-10-9-16(2)8-7-13(10)15-14(18)11-3-5-12(6-4-11)17(19)20;/h3-6H,7-9H2,1-2H3,(H,15,18);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 C14H17N3O3
Molecular Weight 275.3031
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 17:24:26 UTC 2023
Edited
by admin
on Fri Dec 15 17:24:26 UTC 2023
Record UNII
U7DL68VM71
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,2,5,6-TETRAHYDRO-1,3-DIMETHYL-4-(4-NITROBENZAMIDO)PYRIDINE HYDROCHLORIDE
Systematic Name English
PYRIDINE, 1,2,3,6-TETRAHYDRO-1,5-DIMETHYL-4-(P-NITROBENZAMIDO)-, HYDROCHLORIDE
Common Name English
BENZAMIDE, 4-NITRO-N-(1,2,3,6-TETRAHYDRO-1,5-DIMETHYL-4-PYRIDINYL)-, MONOHYDROCHLORIDE
Systematic Name English
Code System Code Type Description
CAS
1702-20-1
Created by admin on Fri Dec 15 17:24:26 UTC 2023 , Edited by admin on Fri Dec 15 17:24:26 UTC 2023
PRIMARY
FDA UNII
U7DL68VM71
Created by admin on Fri Dec 15 17:24:26 UTC 2023 , Edited by admin on Fri Dec 15 17:24:26 UTC 2023
PRIMARY
EPA CompTox
DTXSID10274553
Created by admin on Fri Dec 15 17:24:26 UTC 2023 , Edited by admin on Fri Dec 15 17:24:26 UTC 2023
PRIMARY
PUBCHEM
23617554
Created by admin on Fri Dec 15 17:24:26 UTC 2023 , Edited by admin on Fri Dec 15 17:24:26 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE