chempirical

Liensinine perchlorate

C37H43ClN2O10CAS 2385-63-9711.21 g/mol

Open in Covalent MOL file
NOHONOOHOOOHClOOO
EtherPhenolTertiary amine

Properties

Molecular formula
C37H43ClN2O10
Molar mass
711.21 g/mol
Exact mass
710.2606 Da
logP
6.24Crippen estimate
Polar surface area
155.3 Ų
H-bond donors / acceptors
3 / 11
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
2385-63-9
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
InChIKey
SBJXHMBOBQYZFA-XBPPRYKJSA-N
InChI
InChI=1S/C37H42N2O6.ClHO4/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;2-1(3,4)5/h6-11,18-22,30-31,40-41H,12-17H2,1-5H3;(H,2,3,4,5)/t30-,31-;/m1./s1

Weigh it out

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

Work with Liensinine perchlorate

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 (diperchlorate)5088-90-4Salt

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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