Basic information
- CAS
10539-19-2- Standard SMILES
CCc1cc2cc(OC)c(OC)cc2c(Cc2ccccc2)n1- InChIKey
MYCMTMIGRXJNSO-UHFFFAOYSA-N- Molecular formula
- C20H21NO2
- Average molar mass
- 307.4 g/mol
- Monoisotopic mass
- 307.15722891
Overview
Moxaverine is a member of isoquinolines.
Names & identifiers
- Preferred name
- Moxaverine
- IUPAC
- 1-benzyl-3-ethyl-6,7-dimethoxyisoquinoline
- English name
- moxaverine
- Molecular formula
- C20H21NO2
- Molecular weight
- 307.39
Names & synonyms
Moxaverine10539-19-21-Benzyl-3-ethyl-6,7-dimethoxyisoquinolineMoxaverinaMoxaverinumDTXSID6057613P3P08Y1XJ4DTXCID7031402RefChem:159847A03AD30234-117-5Eupaverin
Show more names
Einecs 234-117-5Isoquinoline, 1-benyl-3-ethyl-6,7-dimethoxy-1-Benzyl-3-ethyl-6,7-dimethoxyisoquinoline hydrochloride
3-Ethyl-1-benzyl-6,7-dimethoxyisoquinolineIsoquinoline,3-ethyl-6,7-dimethoxy-1-(phenylmethyl)-Isoquinoline, 3-ethyl-6,7-dimethoxy-1-(phenylmethyl)-Moxaverine (INN)MOXAVERINE [INN]Moxaverine [INN:BAN]Moxaverinum [INN-Latin]Moxaverina [INN-Spanish]
Database identifiers
- CAS
10539-19-2- PubChem CID
- 70882
- DTXSID
DTXSID6057613- ChEMBL
CHEMBL2105060- ChEBI
CHEBI:135307- UNII
- P3P08Y1XJ4
- EC Number
- 234-117-5
- Nikkaji
- J10.451E
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 31.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 356
Experimental & physicochemical properties
Drugs
Pharmaceuticals
Pharmaceuticals -> Listed in ZINC15
Human DrugsPharmaceuticals
Physicochemical properties
- Melting point
- 71 · 71-72.5°
- Boiling point
- 441.2 · 441.2±40.0 °C(Predicted)
- Density
- 1.109 · 1.109±0.06 g/cm3(Predicted)
- pka
- 7.12 · 7.12±0.50(Predicted)
- FDA UNII
- 3 P08Y1XJ4 · P3P08Y1XJ4
- ATC code
- 3 AD30 · A03AD30
Chemistry & industry
Pharmacology
ATC Code
A - Alimentary tract and metabolism
QA - Alimentary tract and metabolism
MeSH Pharmacological ClassificationAgents that inhibit the actions of the parasympathetic nervous system. The major group of drugs used therapeutically for this purpose is the MUSCARINIC ANTAGONISTS.
Uses & manufacturing
UsesUse (kg; approx.) in Germany (2009): >250
Use ClassificationPharmaceuticals
Suppliers2 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海超岚化工科技中心QQ：65489617 13301690235 · [email protected]
Additional notes
DefinitionChEBI: Moxaverine is a member of isoquinolines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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