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2D Structure
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

2D Structure

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 Weight 434.0 g/mol
Molecular Formula C24H32ClNO4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass433.2019862 g/mol
Monoisotopic Mass433.2019862 g/mol
Topological Polar Surface Area49 Ų
Heavy Atom Count30
Formal Charge0
Complexity511
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently Bonded Unit Count2
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.)