D-Tetrahydropalmatine

C21H25NO4CAS 3520-14-7355.43 g/mol

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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.

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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 Rotundine2934-97-6Stereo not defined (±)-Tetrahydropalmatine10097-84-4Stereo 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 (1R,1'R)-2,2'-(3,11-Dioxo-4,10-dioxatridecamethylene)-bis-(1,2,3,4-tetrahydro-6,7-dimethoxy-1-veratrylisoquindline)-dioxalate96687-52-442 % 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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