Dl-Tetrahydropalmatine hydrochloride

C21H26ClNO4CAS 6024-85-7391.89 g/mol

Open in Covalent MOL file
OOOONHCl
EtherTertiary amine

Properties

Molecular formula
C21H26ClNO4
Molar mass
391.89 g/mol
Exact mass
391.1550 Da
Melting point
222–223 °C (decomposes)
logP
3.80Crippen estimate
Polar surface area
40.2 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
6024-85-7
SMILES
COc1cc2c(cc1OC)C1Cc3ccc(OC)c(OC)c3CN1CC2.Cl
InChIKey
MGSZZQQRTPWMEI-UHFFFAOYSA-N
InChI
InChI=1S/C21H25NO4.ClH/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4;/h5-6,10-11,17H,7-9,12H2,1-4H3;1H

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Names and synonyms

8 names
  • 6H-Dibenzo[A,G]quinolizine, 5,8,13,13A-tetrahydro-2,3,9,10-tetramethoxy-, hydrochloride (1:1)
  • Berbine, 2,3,9,10-tetramethoxy-, hydrochloride, (±)-
  • 6H-Dibenzo[a,g]quinolizine, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-, hydrochloride, (±)-
  • 6H-Dibenzo[a,g]quinolizine, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-, hydrochloride
  • Tetrahydropalmatine hydrochloride
  • (±)-Tetrahydropalmatine hydrochloride
  • NSC 132057
  • NSC 209411

Work with Dl-Tetrahydropalmatine 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

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.

(-)-Tetrahydropalmatine483-14-7Free base, defined stereoisomer Rotundine2934-97-6Free base (±)-Tetrahydropalmatine10097-84-4Free base D-Tetrahydropalmatine3520-14-7Free base, defined stereoisomer

Similar compounds

Canadine522-97-485 % similar Stepholidine16562-13-370 % similar Corydaline518-69-462 % similar Isocorydine hydrochloride13552-72-245 % similar (3R,11bR)-1,3,4,6,7,11b-Hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2H-benzo[a]quinolizin-2-one1026016-83-042 % similar (±)-Tetrabenazine58-46-842 % similar Trimetazidine dihydrochloride13171-25-042 % similar 2(1H)-Isoquinolinepropanoic acid, 1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-, 2,2′-(1,5-pentanediyl) ester, ethanedioate (1:2)64228-78-042 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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