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Emetine

CAT: 0013-GTR19154389-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19154389-01Size:50 mg
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Description
Emetine
CAS Number
7083-71-8
Field of Research
Cell Biology
Purity
>98%
Bioactivity
Protein synthesis inhibitor; Antiparasic, antiviral
Form
Powder
Solubility
Soluble in Water (up to 100 mg/ml)
Molecular Formula
C29H40N2O4 • 2HCl [XH2O]
Molecular Weight
553.6
Storage Conditions
-20°C
Notes
For research use only.
Other Product Names
(2S,3R,11bS) -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]-2H-benzo[a]quinolizine, dihydrochloride, hydrate

Chemical Information

(+)-Emetine dihydrochloride hydrate

Emetine dihydrochloride hydrate is a hydrate that is the monohydrate of the dihydrochloride salt of emetine. It has a role as an emetic, an anticoronaviral agent, an antiviral agent, an antineoplastic agent, an antiprotozoal drug, an antimalarial, a protein synthesis inhibitor and an autophagy inhibitor. It is a hydrate and a hydrochloride. It contains an emetine dihydrochloride.

CAS Number7083-71-8
PubChem CID201899
IUPAC Name(2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine;hydrate;dihydrochloride
Molecular FormulaC29H44Cl2N2O5
Molecular Weight571.6
Topological Polar Surface Area53.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count38
Formal Charge0
Complexity679
SMILES
CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC.O.Cl.Cl
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
IZTPMTAWOCEKKM-VXMYZLRESA-N
Chemical Structure
2D Structure
2D structure of (+)-Emetine dihydrochloride hydrate
CAS: 7083-71-8
CID: 201899
Formula: C29H44Cl2N2O5
MW: 571.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight571.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass570.2627279
Monoisotopic Mass570.2627279
Topological Polar Surface Area53.2 Ų
Heavy Atom Count38
Formal Charge0
Complexity679
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count4
Compound Is CanonicalizedYes

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