79989-19-8
5H-DIBENZ(D,F)AZONIN-1-OL, 6,7,8,9-TETRAHYDRO-2,12-DIMETHOXY-6-((3-MET HOXYPHENYL)METHYL)-7-METHYL-, HYDROCHLORIDE, (-)-
Name5H-DIBENZ(D,F)AZONIN-1-OL, 6,7,8,9-TETRAHYDRO-2,12-DIMETHOXY-6-((3-MET HOXYPHENYL)METHYL)-7-METHYL-, HYDROCHLORIDE, (-)-
FormulaC27 H31 N O4 . Cl H
1Identification
【Name】
5H-DIBENZ(D,F)AZONIN-1-OL, 6,7,8,9-TETRAHYDRO-2,12-DIMETHOXY-6-((3-MET HOXYPHENYL)METHYL)-7-METHYL-, HYDROCHLORIDE, (-)-
【CAS】
【MDL】
MFCD01752440
【English Synonyms】
【Formula】
C27 H31 N O4 . Cl H
【MolWeight】
470.006
【Inchi】
InChI=1S/C27H31NO4.ClH/c1-28-13-12-19-8-10-23(31-3)17-24(19)26-20(9-11-25(32-4)27(26)29)16-21(28)14-18-6-5-7-22(15-18)30-2;/h5-11,15,17,21,29H,12-14,16H2,1-4H3;1H
【InChIKey】
InChIKey=PVKVIVGAHGRGHA-UHFFFAOYSA-N
【SMILES】
CN1CCc2ccc(cc2-c3c(ccc(c3O)OC)CC1Cc4cccc(c4)OC)OC.Cl
【MOL File】
5H-DIBENZ(D,F)AZONIN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5H-DIBENZ(D,F)AZONIN-1-OL, 6,7,8,9-TETRAHYDRO-2,12-DIMETHOXY-6-((3-MET HOXYPHENYL)METHYL)-7-METHYL-, HYDROCHLORIDE, (-)-.cml