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Drotaverine

Drotaverine

Synopsis, Chemistry

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Also known as: 985-12-6, Drotaverine hcl, Drotin; isodihydroperparine hydrochloride; nosh-bra; no-spa, Dihydroisoperparine; drotaverin; isodihydroperparine; perparine, isodihydro-, 1-[(3,4-diethoxyphenyl)methylidene]-6,7-diethoxy-3,4-dihydro-2h-isoquinoline;hydrochloride, Bcp32864

Molecular Formula

C₂₄H₃₂ClNO₄

Molecular Weight

434.0 g/mol

InChI Key

JBFLYOLJRKJYNV-UHFFFAOYSA-N

1 2D Structure

Drotaverine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-[(3,4-diethoxyphenyl)methylidene]-6,7-diethoxy-3,4-dihydro-2H-isoquinoline;hydrochloride

2.1.2 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

2.1.3 InChI Key

JBFLYOLJRKJYNV-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC1=C(C=C(C=C1)C=C2C3=CC(=C(C=C3CCN2)OCC)OCC)OCC.Cl

2.2 Synonyms

2.2.1 MeSH Synonyms

1. Dihydroisoperparine

2. Drotaverin

3. Drotaverine

4. Isodihydroperparine

5. No-shpa

6. No-spa

7. Nospan

8. Nospanum

2.2.2 Depositor-Supplied Synonyms

1. 985-12-6

2. Drotaverine Hcl

3. Drotin; Isodihydroperparine Hydrochloride; Nosh-bra; No-spa

4. Dihydroisoperparine; Drotaverin; Isodihydroperparine; Perparine, Isodihydro-

5. 1-[(3,4-diethoxyphenyl)methylidene]-6,7-diethoxy-3,4-dihydro-2h-isoquinoline;hydrochloride

6. Bcp32864

7. Akos030255224

8. Db-057733

9. Ft-0603535

10. Drotaverine Hcl;tetraspasmin-lefa; Ctk8f9383

11. 1-[(3,4-diethoxy Phenyl)methylene]-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline Hydrochloride

2.3 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₂₄H₃₂ClNO₄
Molecular Weight	434.0 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	9
Exact Mass	433.2019862 g/mol
Monoisotopic Mass	433.2019862 g/mol
Topological Polar Surface Area	49 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	511
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	1
Covalently Bonded Unit Count	2

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Analgesics

Compounds capable of relieving pain without the loss of CONSCIOUSNESS. (See all compounds classified as Analgesics.)

Vasodilator Agents

Drugs used to cause dilation of the blood vessels. (See all compounds classified as Vasodilator Agents.)

Parasympatholytics

Agents that inhibit the actions of the parasympathetic nervous system. The major group of drugs used therapeutically for this purpose is the MUSCARINIC ANTAGONISTS. (See all compounds classified as Parasympatholytics.)