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[(Science: chemistry) a white crystalline bitter alkaloid extracted from ipecacuanha root, and regarded as its peculiar emetic principle. See: emetic.
[1. The principal alkaloid of ipecac, used as an emetic; its salts are used in amebiasis; available as the hydrochloride.
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pre_formula( "InChI=1/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", "jqp017/10219.html" ); ?>
Molecular Formula:
C29H40N2O4
InChI: InChI=1/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: InChIKey=AUVVAXYIELKVAI-CKBKHPSWBK
SMILES: [H][C@]3(C[C@@]1([H])NCCc2cc(OC)c(OC)cc12)C[C@]4([H])N(CCc5cc(OC)c(OC)cc45)C[C@@H]3CC
CAS number 483-18-1
Names:
Bio1_000345
cephaeline methyl ether
Emetine
Emetin
Emetine
emetine
methyl cephaeline
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Registries:
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PubChem CID 10219
Beilstein =100834
Beilstein =6253162
CAS 483-18-1 (from NIST)
ChEBI 4781
Kegg C09421
PubChem ID 11120226
PubChem ID 11612
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