Drotaverine hydrochloride

CAS

985-12-6

Catalog Number

ACM985126

Category

Main Products

Molecular Weight

433.97

Molecular Formula

C₂₄H₃₂ClNO₄

MSDS COA Spec Sheet

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Specification

Synonyms

1-(3,4-diethoxybenzylidene)-6,7-diethoxy-1,2,3,4-tetrahydro-isoquinolin;drotaveriniumchloride;isoquinoline,1,2,3,4-tetrahydro-6,7-diethoxy-1-((3,4-diethoxyphenyl)methylene);no-spa;no-spahydrochloride;tetraspasmin-lefa;DROTAVERINE HYDROCHLORIDE;DROTAVERIN

IUPAC Name

(1Z)-1-[(3,4-diethoxyphenyl)methylidene]-6,7-diethoxy-3,4-dihydro-2H-i...

Boiling Point

564ºC at 760 mmHg

Melting Point

208-212ºC

Flash Point

240.7ºC

Density

1.097 g/cm³

Appearance

Pale-yellow solid

Exact Mass

433.20200

What is the molecular formula of Drotaverine hydrochloride?

The molecular formula of Drotaverine hydrochloride is C24H32ClNO4.

What is the molecular weight of Drotaverine hydrochloride?

The molecular weight of Drotaverine hydrochloride is 434.0 g/mol.

What is the IUPAC name of Drotaverine hydrochloride?

The IUPAC name of Drotaverine hydrochloride is (1Z)-1-[(3,4-diethoxyphenyl)methylidene]-6,7-diethoxy-3,4-dihydro-2H-isoquinoline; hydrochloride.

What is the InChI of Drotaverine hydrochloride?

The InChI of Drotaverine hydrochloride is 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-.

What is the InChIKey of Drotaverine hydrochloride?

The InChIKey of Drotaverine hydrochloride is JBFLYOLJRKJYNV-MASIZSFYSA-N.

What is the canonical SMILES of Drotaverine hydrochloride?

The canonical SMILES of Drotaverine hydrochloride is CCOC1=C(C=C(C=C1)C=C2C3=CC(=C(C=C3CCN2)OCC)OCC)OCC.Cl.

How many hydrogen bond donor counts does Drotaverine hydrochloride have?

Drotaverine hydrochloride has 2 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does Drotaverine hydrochloride have?

Drotaverine hydrochloride has 5 hydrogen bond acceptor counts.

How many rotatable bond counts does Drotaverine hydrochloride have?

Drotaverine hydrochloride has 9 rotatable bond counts.

What is the topological polar surface area of Drotaverine hydrochloride?

The topological polar surface area of Drotaverine hydrochloride is 49.2.