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Emetine

CAT: 1407-AB3102Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1407-AB3102Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
483-18-1
Purity
98% (HPLC)
Molecular Formula
C29H40N2O4
Molecular Weight
480.64

Chemical Information

Emetine

Emetine is a pyridoisoquinoline comprising emetam having methoxy substituents at the 6'-, 7'-, 10- and 11-positions. It is an antiprotozoal agent and emetic. It inhibits SARS-CoV2, Zika and Ebola virus replication and displays antimalarial, antineoplastic and antiamoebic properties. It has a role as an emetic, an anticoronaviral agent, an antiamoebic agent, an antiviral agent, an antiinfective agent, an antineoplastic agent, an antiprotozoal drug, an antimalarial, a protein synthesis inhibitor, a plant metabolite, an expectorant and an autophagy inhibitor. It is an isoquinoline alkaloid and a pyridoisoquinoline. It is functionally related to a cephaeline. It is a conjugate base of an emetine(2+). It derives from a hydride of an emetan.

CAS Number483-18-1
PubChem CID10219
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
Molecular FormulaC29H40N2O4
Molecular Weight480.6
XLogP4.7
Topological Polar Surface Area52.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count35
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
InChI
InChI=1S/C29H40N2O4/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/t18-,21-,24+,25-/m0/s1
InChIKey
AUVVAXYIELKVAI-CKBKHPSWSA-N
Chemical Structure
2D Structure
2D structure of Emetine
CAS: 483-18-1
CID: 10219
Formula: C29H40N2O4
MW: 480.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight480.6
XLogP34.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass480.29880776
Monoisotopic Mass480.29880776
Topological Polar Surface Area52.2 Ų
Heavy Atom Count35
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 Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
011086-01Emetine
FE156859-01Emetine dihydrochloride
TN8711-01Emetine hydrobromide
bs-82627C-01Emetine hydrochloride
HY-B1479AEmetine (dihydrochloride)
TRC-E521530-1MGEmetine (>90%)

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