chempirical

D-Tetrahydropalmatine

C21H25NO4CAS 3520-14-7355.43 g/mol

Open in Covalent MOL file
ONOOO
EtherTertiary amine

Properties

Molecular formula
C21H25NO4
Molar mass
355.43 g/mol
Exact mass
355.1784 Da
logP
3.38Crippen estimate
Polar surface area
40.2 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
4
Stereocentres
Rin SMILES atom order

Hazards

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

Identifiers

CAS number
3520-14-7
SMILES
COC1=C(C2=C(C[C@@H]3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
InChIKey
AEQDJSLRWYMAQI-QGZVFWFLSA-N
InChI
InChI=1S/C21H25NO4/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/t17-/m1/s1

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Names and synonyms

1 names
  • Tetrahydropalmatine, (+)-

Work with D-Tetrahydropalmatine

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.

(-)-Tetrahydropalmatine483-14-7Enantiomer (±)-Tetrahydropalmatine10097-84-4Stereo not defined (±)-Tetrahydropalmatine2934-97-6Stereo not defined Dl-Tetrahydropalmatine hydrochloride6024-85-7Salt, stereo not defined

Similar compounds

Canadine522-97-487 % similar Stepholidine16562-13-371 % similar Corydaline518-69-463 % similar Isocorydine hydrochloride13552-72-244 % similar (3R,11bR)-1,3,4,6,7,11b-Hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2H-benzo[a]quinolizin-2-one1026016-83-043 % similar (±)-Tetrabenazine58-46-843 % 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 1-Isotetrandrine477-57-642 % similar

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

Same formula

Benzenebutanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-γ-phenyl-, (S)-190190-50-2 (+)-Glaucine475-81-0

Elsewhere

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