chempirical

Tetrandrine

C38H42N2O6CAS 518-34-3622.76 g/mol

Open in Covalent MOL file
OOONOOON
EtherTertiary amine

Properties

Molecular formula
C38H42N2O6
Molar mass
622.76 g/mol
Exact mass
622.3043 Da
Melting point
217.5 °C
logP
7.16Crippen estimate
Polar surface area
61.9 Ų
H-bond donors / acceptors
0 / 8
Rotatable bonds
4
Stereocentres
S, Sin SMILES atom order

Identifiers

CAS number
518-34-3
SMILES
COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3
InChIKey
WVTKBKWTSCPRNU-KYJUHHDHSA-N
InChI
InChI=1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)41-3)18-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/t29-,30-/m0/s1

Weigh it out

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

Names and synonyms

14 names · show all
  • 16H-1,24:6,9-Dietheno-11,15-metheno-2H-pyrido[2′,3′:17,18][1,11]dioxacycloeicosino[2,3,4-ij]isoquinoline, 3,4,4a,5,16a,17,18,19-octahydro-12,21,22,26-tetramethoxy-4,17-dimethyl-, (4aS,16aS)-
  • Berbaman, 6,6′,7,12-tetramethoxy-2,2′-dimethyl-, (1β)-
  • (4aS,16aS)-3,4,4a,5,16a,17,18,19-Octahydro-12,21,22,26-tetramethoxy-4,17-dimethyl-16H-1,24:6,9-dietheno-11,15-metheno-2H-pyrido[2′,3′:17,18][1,11]dioxacycloeicosino[2,3,4-ij]isoquinoline
  • d-Tetrandrine
  • NSC 77037
  • (+)-Tetrandrine
  • Tetrandrin
  • (S,S)-Tetrandrine
  • Sinomenine A
  • Fanchinine
  • 16H-1,24:6,9-Dietheno-11,15-metheno-2H-pyrido[2′,3′:17,18][1,11]dioxacycloeicosino[2,3,4-ij]isoquinoline, 3,4,4a,5,16a,17,18,19-octahydro-12,21,22,26-tetramethoxy-4,17-dimethyl-, [4aS-(4aR*,16aR*)]-
  • TTD
  • S,S-(+)-Tetrandrine
  • Hanfangchin A

Work with Tetrandrine

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

Berbamine478-61-586 % similar (+)-Cepharanthine481-49-284 % similar 16H-1,24:6,9-Dietheno-11,15-metheno-2H-pyrido[2′,3′:17,18][1,11]dioxacycloeicosino[2,3,4-ij]isoquinolin-12-ol, 3,4,4A,5,16A,17,18,19-octahydro-21,22,26-trimethoxy-4,17-dimethyl-, hydrochloride (1:2), (4as,16ar)-6078-17-783 % similar Fangchinoline436-77-183 % similar Dauricine524-17-468 % similar Daurisoline70553-76-365 % similar (-)-Neferine2292-16-264 % similar (+)-Isoliensinine6817-41-061 % similar

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

Same formula

1-Isotetrandrine477-57-6 Cycleanine518-94-5

Elsewhere

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