Drotaverine hydrochloride
Properties
- Molecular formula
- C24H32ClNO4
- Molar mass
- 433.97 g/mol
- Exact mass
- 433.2020 Da
- Melting point
- 211–212 °C
- logP
- 5.35Crippen estimate
- Polar surface area
- 49.0 Ų
- H-bond donors / acceptors
- 1 / 5
- Rotatable bonds
- 9
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless.
Identifiers
CAS number
985-12-6SMILES
CCOc1ccc(C=C2NCCc3cc(OCC)c(OCC)cc32)cc1OCC.ClInChIKey
JBFLYOLJRKJYNV-UHFFFAOYSA-NInChI
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;1HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
12 names
- Isoquinoline, 1-[(3,4-diethoxyphenyl)methylene]-6,7-diethoxy-1,2,3,4-tetrahydro-, hydrochloride (1:1)
- Isoquinoline, 1-(3,4-diethoxybenzylidene)-6,7-diethoxy-1,2,3,4-tetrahydro-, hydrochloride
- Isoquinoline, 1-[(3,4-diethoxyphenyl)methylene]-6,7-diethoxy-1,2,3,4-tetrahydro-, hydrochloride
- No-Spa hydrochloride
- Drotaverinium chloride
- Isodihydroperparine hydrochloride
- Tetraspasmin-lefa
- Drotaverin hydrochloride
- No-spa
- NOSH-BRA
- Drotin
- 1-(3,4-Diethoxy-benzylidene)-6,7-diethoxy-1,2,3,4-tetrahydro-isoquinoline; hydrochloride
Work with Drotaverine hydrochloride
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
3,4-Diethoxybenzaldehyde2029-94-943 % similar
4-Ethoxy-3-methoxybenzaldehyde120-25-240 % similar
3-Ethoxy-4-methoxybenzaldehyde1131-52-837 % similar
4-Benzyloxy-3-ethoxybenzaldehyde60186-33-636 % similar
3,4-Diethoxyaniline39052-12-534 % similar
3,4-Diethoxybenzeneethanamine61381-04-234 % similar
3,4-Diethoxybenzoic acid5409-31-433 % similar
Ethylvanillin121-32-432 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.