chempirical

Liensinine

C37H42N2O6CAS 2586-96-1610.75 g/mol

Open in Covalent MOL file
OOHOOONOHN
AlcoholTertiary Amine

Properties

Molecular formula
C37H42N2O6
Molar mass
610.75 g/mol
Exact mass
610.3043 Da
Melting point
95–99 °C
logP
6.46Crippen estimate
Polar surface area
83.9 Ų
H-bond donors / acceptors
2 / 8
Rotatable bonds
9

Identifiers

CAS number
2586-96-1
SMILES
COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)c(Oc3cc4c(cc3OC)CCN(C)[C@@H]4Cc3ccc(O)cc3)c1)N(C)CC2
InChIKey
XCUCMLUTCAKSOZ-FIRIVFDPSA-N
InChI
InChI=1S/C37H42N2O6/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/h6-11,18-22,30-31,40-41H,12-17H2,1-5H3/t30-,31-/m1/s1

Weigh it out

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

Names and synonyms

3 names
  • Phenol, 4-[[(1R)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl]methyl]-2-[[(1R)-1,2,3,4-tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-7-isoquinolinyl]oxy]-
  • Phenol, 4-[(1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl]-2-[[1,2,3,4-tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-7-isoquinolinyl]oxy]-, [R-(R*,R*)]-
  • 4-[[(1R)-1,2,3,4-Tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl]methyl]-2-[[(1R)-1,2,3,4-tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-7-isoquinolinyl]oxy]phenol

Work with Liensinine

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

Same formula

(+)-Isoliensinine6817-41-0 Daurisoline70553-76-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook