61799-82-4
17-(3-FURANYLMETHYL)MORPHINAN-3-OL METHANESULFONATE
Name17-(3-FURANYLMETHYL)MORPHINAN-3-OL METHANESULFONATE
FormulaC21 H25 N O2 . C H4 O3 S
1Identification
【Name】
17-(3-FURANYLMETHYL)MORPHINAN-3-OL METHANESULFONATE
【CAS】
【MDL】
MFCD01714408
【English Synonyms】
【Formula】
C21 H25 N O2 . C H4 O3 S
【MolWeight】
419.539
【Inchi】
InChI=1S/C21H25NO2.CH4O3S/c23-17-5-4-16-11-20-18-3-1-2-7-21(18,19(16)12-17)8-9-22(20)13-15-6-10-24-14-15;1-5(2,3)4/h4-6,10,12,14,18,20,23H,1-3,7-9,11,13H2;1H3,(H,2,3,4)/t18-,20+,21+;/m0./s1
【InChIKey】
InChIKey=BKGIERMBUHQGMY-LWBVMVAASA-N
【SMILES】
CS(=O)(=O)O.c1cc2c(cc1O)[C@@]34CCCC[C@H]3[C@@H](C2)N(CC4)Cc5ccoc5
【MOL File】
17-(3-FURANYLMETHYL)….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
17-(3-FURANYLMETHYL)MORPHINAN-3-OL METHANESULFONATE.cml