General
Preferred name
METHYL NICOTINATE
Synonyms
methyl pyridine-3-carboxylate ()
Nicotinic Acid Methyl Ester ()
Methylnicotinate ()
Heat spray ()
NSC-13126 ()
FEMA NO. 3709 ()
Vitathone ()
P&D ID
PD013653
CAS
93-60-7
123574-61-8
Tags
available
drug
Approved by
FDA
Drug Status
approved
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Methyl nicotinate (Nicotinic acid methyl ester) is an orally active vasodilator. Methyl nicotinate has analgesic activity. Methyl nicotinate causes local skin erythema when applied topically to the skin. Methyl nicotinate is used as an active ingredient in over-the-counter topical preparations for the study of muscle and joint pain[1][2][3][4].
PRICE 29
DESCRIPTION Methyl nicotinate is the methyl ester of Niacin that is used as an active ingredient as a rubefacient in over-the-counter topical preparations indicated for muscle and joint pain. The action of methyl nicotinate as a rubefacient is thought to involve peripheral vasodilation. (Enamine Bioactive Compounds)
DESCRIPTION Methyl nicotinate (methyl pyridine-3-carboxylate) is the methyl ester of that is used as an active ingredient as a rubefacient in over-the-counter topical preparations indicated for muscle and joint pain. The action of methyl nicotinate as a rubefacient is thought to involve peripheral vasodilation. (TargetMol Bioactive Compound Library)
Compound Sets
13
ChEMBL Drugs
CHEMBL379845
Drug Repurposing Hub
DrugBank
DB13882
DrugBank Approved Drugs
DB13882
DrugCentral
3355
DrugCentral Approved Drugs
3355
Enamine Bioactive Compounds
EBC-26077
EU-OPENSCREEN Bioactive Compound Library
EOS100946
MedChem Express Bioactive Compound Library
HY-B1695
NPC Screening Collection
ReFrame library
Selleckchem Bioactive Compound Library
methyl-nicotinate
TargetMol Bioactive Compound Library
T5562
External IDs
35
Properties
(calculated by RDKit )
Molecular Weight
137.05
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
0
Rotatable Bonds
1
Ring Count
1
Aromatic Ring Count
1
cLogP
0.87
TPSA
39.19
Fraction CSP3
0.14
Chiral centers
0.0
Largest ring
6.0
QED
0.54
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data