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

Details

Stereochemistry ACHIRAL
Molecular Formula C7H8N2O2.ClH
Molecular Weight 188.612
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL 6-AMINONICOTINATE HYDROCHLORIDE

SMILES

Cl.COC(=O)C1=CC=C(N)N=C1

InChI

InChIKey=UTFPREJWCJIVPL-UHFFFAOYSA-N
InChI=1S/C7H8N2O2.ClH/c1-11-7(10)5-2-3-6(8)9-4-5;/h2-4H,1H3,(H2,8,9);1H

HIDE SMILES / InChI

Molecular Formula C7H8N2O2
Molecular Weight 152.1506
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 Mon Mar 31 21:42:54 GMT 2025
Edited
by admin
on Mon Mar 31 21:42:54 GMT 2025
Record UNII
SM0SZ1MLR4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL 6-AMINONICOTINATE HYDROCHLORIDE
Common Name English
3-PYRIDINECARBOXYLIC ACID, 6-AMINO-, METHYL ESTER, HYDROCHLORIDE (1:1)
Preferred Name English
3-PYRIDINECARBOXYLIC ACID, 6-AMINO-, METHYL ESTER, MONOHYDROCHLORIDE
Systematic Name English
Code System Code Type Description
PUBCHEM
22988139
Created by admin on Mon Mar 31 21:42:54 GMT 2025 , Edited by admin on Mon Mar 31 21:42:54 GMT 2025
PRIMARY
CAS
135995-32-3
Created by admin on Mon Mar 31 21:42:54 GMT 2025 , Edited by admin on Mon Mar 31 21:42:54 GMT 2025
NON-SPECIFIC STOICHIOMETRY
FDA UNII
SM0SZ1MLR4
Created by admin on Mon Mar 31 21:42:54 GMT 2025 , Edited by admin on Mon Mar 31 21:42:54 GMT 2025
PRIMARY
CAS
180693-67-8
Created by admin on Mon Mar 31 21:42:54 GMT 2025 , Edited by admin on Mon Mar 31 21:42:54 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE