Basic information
- CAS
985-13-7- Standard SMILES
CCOc1ccc(Cc2[nH+]ccc3cc(OCC)c(OCC)cc23)cc1OCC.[Cl-]- InChIKey
UPUDVKWQBVIKBG-UHFFFAOYSA-N- Molecular formula
- C24H30ClNO4
- Average molar mass
- 431.9 g/mol
- Monoisotopic mass
- 431.1863361
Overview
See also: Ethaverine Hydrochloride (preferred); Ethaverine (has active moiety).
Names & identifiers
- Preferred name
- 1-[(3,4-Diethoxyphenyl)methyl]-6,7-diethoxyisoquinolin-2-ium chloride
- IUPAC
- 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxyisoquinolin-2-ium chloride
- English name
- ethaverine hydrochloride
- Molecular formula
- C24H29NO4.ClH
- Molecular weight
- 431.957
Names & synonyms
IsovexCebralEthaquinConsenilBalborinPapetherineBarbonin hydrochlorideethaverine hydrochlorideDrotaveraldine Impurity AEthylpapaverin hydrochloride
Database identifiers
- CAS
985-13-7- PubChem CID
- 13796
Properties
Computed structural properties
- Topological polar surface area
- 51.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 462
Physicochemical properties
- Melting point
- 186 · 186-188° (dec)
- form
- Solid
- color
- Light yellow to yellow
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 6 Z6T599E49 · 6Z6T599E49
- EPA Substance Registry System
- Ethaverine hydrochloride (985-13-7)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- RIDADR
- 3249 · 3249
- TSCA
- TSCA listed
- HazardClass
- 6.1 · 6.1(a)
- PackingGroup
- II
- Toxicity
- 50 scu-mus: · LD50 scu-mus: 660 mg/kg THERAP5,69,50
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
- ridadr
- 3249
- Toxicity
- LD50 scu-mus: 660 mg/kg THERAP5,69,50
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- 6.1(a)
- packing_group
- II
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesEthaverine hydrochloride, a derivative of papaverine, inhibits cardiac L-type calcium channel. Ethaverine hydrochloride is a peripheral vasodilator and antispasmodic agent. Ethaverine hydrochloride can be used for research of peripheral vascular disease[1][2][3].
Suppliers28 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]
杭州云易国科生物科技有限公司18457506494 · [email protected]
上海喀露蓝科技有限公司18149758185 18149758185 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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