101832-32-0
6-(2-PIPERIDINOETHYL)-1,2,10-TRIMETHOXY-6A-ALPHA-NORAPORPHIN-9-OL MONOHYDROCHLORIDE
Name6-(2-PIPERIDINOETHYL)-1,2,10-TRIMETHOXY-6A-ALPHA-NORAPORPHIN-9-OL MONOHYDROCHLORIDE
FormulaC26 H34 N2 O4 . Cl H
1Identification
【Name】
6-(2-PIPERIDINOETHYL)-1,2,10-TRIMETHOXY-6A-ALPHA-NORAPORPHIN-9-OL MONOHYDROCHLORIDE
【CAS】
【MDL】
MFCD01711526
【English Synonyms】
【Formula】
C26 H34 N2 O4 . Cl H
【MolWeight】
475.026
【Inchi】
InChI=1S/C26H34N2O4.ClH/c1-30-22-16-19-18(14-21(22)29)13-20-24-17(15-23(31-2)26(32-3)25(19)24)7-10-28(20)12-11-27-8-5-4-6-9-27;/h14-16,20,29H,4-13H2,1-3H3;1H/t20-;/m0./s1
【InChIKey】
InChIKey=ZYABUKXJZRPJBW-BDQAORGHSA-N
【SMILES】
COc1cc2c3c(c1OC)-c4cc(c(cc4C[C@@H]3N(CC2)CCN5CCCCC5)O)OC.Cl
【MOL File】
6-(2-PIPERIDINOETHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
6-(2-PIPERIDINOETHYL)-1,2,10-TRIMETHOXY-6A-ALPHA-NORAPORPHIN-9-OL MONOHYDROCHLORIDE.cml