73713-75-4
EMETINE DIHYDROCHLORIDE TETRAHYDRATE
NameEMETINE DIHYDROCHLORIDE TETRAHYDRATE
FormulaC29 H40 N2 O4 . 2 Cl H . 4 H2 O
1Identification
【Name】
EMETINE DIHYDROCHLORIDE TETRAHYDRATE
【CAS】
【MDL】
MFCD01663119
【English Synonyms】
【Formula】
C29 H40 N2 O4 . 2 Cl H . 4 H2 O
【MolWeight】
625.626
【Inchi】
InChI=1S/C29H40N2O4.2ClH.4H2O/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24;;;;;;/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3;2*1H;4*1H2/t18-,21-,24+,25-;;;;;;/m0....../s1
【InChIKey】
InChIKey=DYUNBDNHKKQLKB-RQJPCFTOSA-N
【SMILES】
CC[C@H]1CN2CCc3cc(c(cc3[C@@H]2C[C@@H]1C[C@@H]4c5cc(c(cc5CCN4)OC)OC)OC)OC.O.O.O.O.Cl.Cl
【MOL File】
EMETINE DIHYDROCHLOR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
EMETINE DIHYDROCHLORIDE TETRAHYDRATE.cml