chempirical

Tetrahydropapaverine hydrochloride

C20H26ClNO4CAS 6429-04-5379.88 g/mol

Open in Covalent MOL file
ONHOOOHCl
EtherSecondary amine

Properties

Molecular formula
C20H26ClNO4
Molar mass
379.88 g/mol
Exact mass
379.1550 Da
Melting point
216–218 °C
logP
3.57Crippen estimate
Polar surface area
49.0 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
6

Identifiers

CAS number
6429-04-5
SMILES
COc1ccc(CC2NCCc3cc(OC)c(OC)cc32)cc1OC.Cl
InChIKey
VMPLLPIDRGXFTQ-UHFFFAOYSA-N
InChI
InChI=1S/C20H25NO4.ClH/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16;/h5-6,10-12,16,21H,7-9H2,1-4H3;1H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names
  • Isoquinoline, 1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-, hydrochloride (1:1)
  • Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-1-veratryl-, hydrochloride
  • Isoquinoline, 1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-, hydrochloride
  • 1,2,3,4-Tetrahydropapaverine hydrochloride
  • (±)-Tetrahydropapaverine hydrochloride
  • (±)-Norlaudanosine hydrochloride
  • NSC 118072
  • NZ 54
  • 1-(3,4-Dimethoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride

Work with Tetrahydropapaverine hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(±)-Demethylcoclaurine hydrochloride11041-94-451 % similar N-Methylhomoveratrylamine3490-06-046 % similar Higenamine5843-65-245 % similar Phyllanthin10351-88-945 % similar 6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride2328-12-343 % similar (1S)-4,5-Dimethoxy-1-[(methylamino)methyl]benzocyclobutane hydrochloride866783-13-342 % similar Dl-Tetrahydropalmatine hydrochloride6024-85-741 % similar 3,4-Dimethoxyphenethylamine120-20-741 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

D-(-)-Tetrahydropapaverine hydrochloride54417-53-7

Elsewhere

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