Basic information
- CAS
486-47-5- Standard SMILES
CCOc1ccc(Cc2nccc3cc(OCC)c(OCC)cc23)cc1OCC- InChIKey
ZOWYFYXTIWQBEP-UHFFFAOYSA-N- Molecular formula
- C24H29NO4
- Average molar mass
- 395.5 g/mol
- Monoisotopic mass
- 395.20965841
Overview
1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxyisoquinoline is a member of isoquinolines.
Names & identifiers
- Preferred name
- Ethaverine
- IUPAC
- 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxyisoquinoline
- English name
- ethaverine
- Molecular formula
- C24H29NO4
- Molecular weight
- 395.49
Names & synonyms
ethaverineEthylpapaverine486-47-5EtaverinaEthquinol1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxyisoquinolineEthaverinum1-(3,4-Diethoxybenzyl)-6,7-diethoxyisoquinoline6,7-Diethoxy-1-(3,4-diethoxybenzyl)isoquinoline2H2HC19DYZDTXSID30230091-((3,4-diethoxyphenyl)methyl)-6,7-diethoxyisoquinoline
Show more names
Drotaverine Impurity 6Drotaverine Impurity 3 (Ethaverine)Impurity K of Qutaweilin HydrochlorideEthaverine/1-(3,4-Diethoxybenzyl)-6,7-diethoxyisoquinolineIsoquinoline, 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-1-(3,4-diethoxybenzyl)-6,7-diethoxyisoquinoline hydrochloride
RefChem:138373DTXCID903009207-633-3BarboninBarbonineDyscuralPerparinePerperine
Database identifiers
- CAS
486-47-5
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 462
Experimental & physicochemical properties
Human DrugsPharmaceuticals
Collision Cross Section207.89 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- 99 · 99-101°
- Boiling point
- 519.44 °C · 519.44°C (rough estimate)
- Density
- 1.1668 · 1.1668 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- storage temp.
- Refrigerator
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 6.41 · 6.41±0.40(Predicted)
- color
- White to Off-White
- FDA UNII
- 2 H2HC19DYZ · 2H2HC19DYZ
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Other Safety InformationIMAP assessments - Isoquinoline, 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-: Human health tier I assessment
Chemistry & industry
Pharmacology
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
Use ClassificationPharmaceuticals
Applications
UsesEthaverine is an analogue of Papaverine (P190500), an antispasmodic. An isoquinoline derivative with the potential for antimicrobial, antimalarial and cytotoxic antiviral agents.
Upstream & downstream products
Upstream raw materials
Suppliers19 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
天津掌心医药科技有限公司022-28219283 18522293726 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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