16808-86-9
6,14-ETHENOMORPHINAN-7-METHANOL, 17-(CYCLOPROPYLMETHYL)-4,5-EPOXY-18,19-DIHYDRO-3-HYDROXY-6-METHOXY-ALPHA, ALPHA-DIMETHYL-(5ALPHA, 7ALPHA) HYDROCHLORIDE
Name6,14-ETHENOMORPHINAN-7-METHANOL, 17-(CYCLOPROPYLMETHYL)-4,5-EPOXY-18,19-DIHYDRO-3-HYDROXY-6-METHOXY-ALPHA, ALPHA-DIMETHYL-(5ALPHA, 7ALPHA) HYDROCHLORIDE
FormulaC26 H35 N O4 . Cl H
1Identification
【Name】
6,14-ETHENOMORPHINAN-7-METHANOL, 17-(CYCLOPROPYLMETHYL)-4,5-EPOXY-18,19-DIHYDRO-3-HYDROXY-6-METHOXY-ALPHA, ALPHA-DIMETHYL-(5ALPHA, 7ALPHA) HYDROCHLORIDE
【CAS】
【MDL】
MFCD01319114
【English Synonyms】
【Formula】
C26 H35 N O4 . Cl H
【MolWeight】
462.026
【Inchi】
InChI=1S/C26H35NO4.ClH/c1-23(2,29)18-13-24-8-9-26(18,30-3)22-25(24)10-11-27(14-15-4-5-15)19(24)12-16-6-7-17(28)21(31-22)20(16)25;/h6-7,15,18-19,22,28-29H,4-5,8-14H2,1-3H3;1H/t18-,19-,22-,24?,25+,26+;/m1./s1
【InChIKey】
InChIKey=UNPUINKKJUSSDZ-QJEJNSDASA-N
【SMILES】
CC(C)([C@H]1CC23CC[C@]1([C@H]4[C@@]25CCN([C@@H]3Cc6c5c(c(cc6)O)O4)CC7CC7)OC)O.Cl
【MOL File】
6,14-ETHENOMORPHINAN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
6,14-ETHENOMORPHINAN-7-METHANOL, 17-(CYCLOPROPYLMETHYL)-4,5-EPOXY-18,19-DIHYDRO-3-HYDROXY-6-METHOXY-ALPHA, ALPHA-DIMETHYL-(5ALPHA, 7ALPHA) HYDROCHLORIDE.cml