chempirical

Liensinine (diperchlorate)

C37H44Cl2N2O14CAS 5088-90-4811.66 g/mol

Open in Covalent MOL file
NOHONOOHOOOHClOOOOHClOOO
EtherPhenolTertiary amine

Properties

Molecular formula
C37H44Cl2N2O14
Molar mass
811.66 g/mol
Exact mass
810.2170 Da
logP
6.01Crippen estimate
Polar surface area
226.7 Ų
H-bond donors / acceptors
4 / 14
Rotatable bonds
9
Stereocentres
R, 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
5088-90-4
SMILES
CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC=C(C=C3)O)OC4=C(C=CC(=C4)C[C@@H]5C6=CC(=C(C=C6CCN5C)OC)OC)O)OC.OCl(=O)(=O)=O.OCl(=O)(=O)=O
InChIKey
BGUPXKYVHOSZPY-ZAMYOOMVSA-N
InChI
InChI=1S/C37H42N2O6.2ClHO4/c1-38-14-13-26-20-35(43-4)37(22-29(26)30(38)16-23-6-9-27(40)10-7-23)45-33-18-24(8-11-32(33)41)17-31-28-21-36(44-5)34(42-3)19-25(28)12-15-39(31)2;2*2-1(3,4)5/h6-11,18-22,30-31,40-41H,12-17H2,1-5H3;2*(H,2,3,4,5)/t30-,31-;;/m1../s1

Weigh it out

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

Names and synonyms

1 names
  • Liensinine diperchlorate

Work with Liensinine (diperchlorate)

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.

Liensinine2586-96-1Free base Liensinine perchlorate2385-63-9Salt

Similar compounds

(-)-Neferine2292-16-275 % similar Dauricine524-17-472 % similar (+)-Isoliensinine6817-41-072 % similar Daurisoline70553-76-369 % similar Berbamine478-61-566 % similar Grisabutine31008-18-166 % 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)-6078-17-764 % similar Fangchinoline436-77-157 % similar

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

Elsewhere

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