Emetine Hydrochloride
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Product Description
Product
Emetine Hydrochloride
CAS
316-42-7
Formula
C29H42Cl2N2O4; C29H40N2O4.2ClH
Synonym
Emetine hydrochloride; Emetine, dihydrochloride; emetine,dihydrochloride1/; l-Emetine dihydrochloride; l-emetinedihydrochloride; nsc-33669; Purum; Superlist Names Emetine dihydrochloride; UNII-U52OG12P96; 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)-, dihydrochloride, (2S,3R,11bS)-; 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 (1:2), (2S,3R,11bS)-; 6',7',10,11-Tetramethoxyemetan dihydrochloride; 6',7',10,11-TETRAMETHOXYEMETAN, 2HCL; 6’,7’,10,11-tetramethoxy-emetadihydrochloride; ai3-50600; Amebicide; CCRIS 6237; EINECS 206-259-8; Emetan, 6',7',10,11-tetramethoxy-, dihydrochloride; Emetine dihydrochloride; Emetine HCl
Typical Product Specifications
Molecular weight
553.56
EINECS
206-259-8
SMILES
CC[C@H]1CN2CCc3cc(c(cc3[C@@H]2C[C@@H]1C[C@@H]4c5cc(c(cc5CCN4)OC)OC)OC)OC.Cl.Cl
InChI
JROGBPMEKVAPEH-GXGBFOEMSA-N
InChIKey
1S/C29H40N2O4.2ClH/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/t18-,21-,24+,25-;;/m0../s1
Henry's Law Constant
4.99E-16 atm-m3/mole
Atmospheric OH Rate Constant
2.74E-10 cm3/molecule-sec
log P (octanol-water)
5.200
Water solubility
1.65E+05 mg/L
Vapor Pressure
2.47E-12 mm Hg
Class
Emetine Hydrochloride
Product Description
Product
Emetine Hydrochloride
CAS
316-42-7
Formula
C29H42Cl2N2O4; C29H40N2O4.2ClH
Synonym
Emetine hydrochloride; Emetine, dihydrochloride; emetine,dihydrochloride1/; l-Emetine dihydrochloride; l-emetinedihydrochloride; nsc-33669; Purum; Superlist Names Emetine dihydrochloride; UNII-U52OG12P96; 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)-, dihydrochloride, (2S,3R,11bS)-; 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 (1:2), (2S,3R,11bS)-; 6',7',10,11-Tetramethoxyemetan dihydrochloride; 6',7',10,11-TETRAMETHOXYEMETAN, 2HCL; 6’,7’,10,11-tetramethoxy-emetadihydrochloride; ai3-50600; Amebicide; CCRIS 6237; EINECS 206-259-8; Emetan, 6',7',10,11-tetramethoxy-, dihydrochloride; Emetine dihydrochloride; Emetine HCl
Typical Product Specifications
Molecular weight
553.56
EINECS
206-259-8
SMILES
CC[C@H]1CN2CCc3cc(c(cc3[C@@H]2C[C@@H]1C[C@@H]4c5cc(c(cc5CCN4)OC)OC)OC)OC.Cl.Cl
InChI
JROGBPMEKVAPEH-GXGBFOEMSA-N
InChIKey
1S/C29H40N2O4.2ClH/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/t18-,21-,24+,25-;;/m0../s1
Henry's Law Constant
4.99E-16 atm-m3/mole
Atmospheric OH Rate Constant
2.74E-10 cm3/molecule-sec
log P (octanol-water)
5.200
Water solubility
1.65E+05 mg/L
Vapor Pressure
2.47E-12 mm Hg
Class
