CAS Registry Number®
7083-71-8
CAS Name
Emetine, dihydrochloride, hydrate
Molecular Formula
C29H40N2O4.2ClH.xH2O
Other Names and Identifiers
InChI
InChI=1S/C29H40N2O4.2ClH.H2O/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;1H2/t18-,21-,24+,25-;;;/m0…/s1
InChIKey
InChIKey=IZTPMTAWOCEKKM-VXMYZLRESA-N
SMILES
C([C@H]1C[C@]2(C=3C(=CC(OC)=C(OC)C3)CCN2C[C@@H]1CC)[H])[C@@H]4C=5C(=CC(OC)=C(OC)C5)CCN4.Cl.O
Canonical SMILES
Cl.O.O(C=1C=C2C(=CC1OC)C(NCC2)CC3CC4C5=CC(OC)=C(OC)C=C5CCN4CC3CC)C
Other Names for this Substance
- 2H-Benzo[a]quinolizine, 3-ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2-[[(1R)-1,2,3,4-tetrahydro-6,7-dimethoxy-1-isoquinolinyl]methyl]-, hydrochloride, hydrate (1:2:?), (2S,3R,11bS)-
- Emetine, dihydrochloride, hydrate
- Emetan, 6′,7′,10,11-tetramethoxy-, dihydrochloride, hydrate
- 2H-Benzo[a]quinolizine, emetan deriv.
- Emetine hydrochloride hydrate
