Isoquinoline,1-[(3,4-diethoxyphenyl)methylene]-6,7-diethoxy-1,2,3,4-tetrahydro-,hydrochloride (1:1) (985-12-6),Isoquinoline,1-[(3,4-diethoxyphenyl)methylene]-6,7-diethoxy-1,2,3,4-tetrahydro-,hydrochloride (1:1) (985-12-6) Manufacturers & Suppliers,Synthesis,MSDS

Basic information

Name:
Isoquinoline,1-[(3,4-diethoxyphenyl)methylene]-6,7-diethoxy-1,2,3,4-tetrahydro-,hydrochloride (1:1)
Superlist Name:
Drotaverine hydrochloride
CAS No.:
985-12-6
Molecular Structure:
Formula:
C₂₄H₃₂ClNO₄
Molecular Weight:
433.97
Deleted CAS:
53908-09-1
Synonyms:
Isoquinoline,1-(3,4-diethoxybenzylidene)-6,7-diethoxy-1,2,3,4-tetrahydro-, hydrochloride(7CI,8CI);Isoquinoline,1-[(3,4-diethoxyphenyl)methylene]-6,7-diethoxy-1,2,3,4-tetrahydro-,hydrochloride (9CI);Drotaverin hydrochloride;Drotaverine hydrochloride;Drotaverinium chloride;Drotin;Isodihydroperparine hydrochloride;NOSH-BRA;No-Spa;No-Spa hydrochloride;Tetraspasmin-Lefa;
Density:
1.097 g/cm³
Melting Point:
208-212 °C
Appearance:
pale-yellow crystalline solid

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Chemistry

IUPAC Name: (1Z)-1-[(3,4-diethoxyphenyl)methylidene]-6,7-diethoxy-3,4-dihydro-2H-isoquinoline hydrochloride
Empirical Formula: C₂₄H₃₂ClNO₄
Molecular Weight: 433.9682g/mol
Structure of Isoquinoline,1-[(3,4-diethoxyphenyl)methylene]-6,7-diethoxy-1,2,3,4-tetrahydro-,hydrochloride (1:1) (CAS NO.985-12-6):

Flash Point: 240.7 °C
Enthalpy of Vaporization: 84.75 kJ/mol
Melting Point: 208-212°C
Boiling Point: 564 °C at 760 mmHg
Vapour Pressure: 9.61E-13 mmHg at 25°C
Product Categories: Intermediates & Fine Chemicals;Pharmaceuticals
Canonical SMILES: CCOC1=C(C=C(C=C1)C=C2C3=CC(=C(C=C3CCN2)OCC)OCC)OCC.Cl
Isomeric SMILES: CCOC1=C(C=C(C=C1)/C=C\2/C3=CC(=C(C=C3CCN2)OCC)OCC)OCC.Cl
InChI: InChI=1S/C24H31NO4.ClH/c1-5-26-21-10-9-17(14-22(21)27-6-2)13-20-19-16-24(29-8-4)23(28-7-3)15-18(19)11-12-25-20;/h9-10,13-16,25H,5-8,11-12H2,1-4H3;1H/b20-13-;
InChIKey: JBFLYOLJRKJYNV-MASIZSFYSA-N

Uses

Analogue of Papaverine. Antispasmodic

Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
mouse	LD50	intravenous	15mg/kg (15mg/kg)	United States Patent Document. Vol. #4035366,
mouse	LD50	oral	350mg/kg (350mg/kg)	United States Patent Document. Vol. #4035366,
rat	LD50	intravenous	14600ug/kg (14.6mg/kg)	United States Patent Document. Vol. #4035366,
rat	LD50	oral	540mg/kg (540mg/kg)	United States Patent Document. Vol. #4035366,

Specification

Isoquinoline,1-[(3,4-diethoxyphenyl)methylene]-6,7-diethoxy-1,2,3,4-tetrahydro-,hydrochloride (1:1) , its cas register number is 985-12-6. It also can be called 6,7,3',4'-Tetraethoxy-1-benzal-1,2,3,4-tetrahydroisoquinoline hydrochloride ;
Drotaverin HCl ; Drotaverin hydrochloride ; Drotaverine hydrochloride ; Drotaverinium chloride ; Isodihydroperparine hydrochloride ; Isoquinoline, 1-(3,4-diethoxybenzylidene)-6,7-diethoxy-1,2,3,4-tetrahydro-, hydrochloride ; No-Spa hydrochloride ; Tetraspasmin-Lefa . Isoquinoline,1-[(3,4-diethoxyphenyl)methylene]-6,7-diethoxy-1,2,3,4-tetrahydro-,hydrochloride (1:1) (CAS NO.985-12-6) is a pale-yellow crystalline solid.