General Information of Drug (ID: DMN53QP)

Drug Name
Emetine hydrochloride
Synonyms
EMETINE; 6',7',10,11-Tetramethoxyemetan; BRN 0100829; CHEBI:4781; CHEMBL50588; Cephaeline methyl ether; Cephaline-O-methyl ether; DSSTox_CID_2980; DSSTox_GSID_22980; DSSTox_RID_76816; EINECS 207-592-1; Emetan, 6',7',10,11-tetramethoxy-; Emetin; Emetine [BAN]; Emetine dihydrochloride hydrate; Emetine hydrochloride; GNF-PF-196; HSDB 2150; Ipecine; Methyl cephaeline; Methylcephaeline; TCMDC-125531; UNII-X8D5EPO80M; X8D5EPO80M
Indication
Disease Entry ICD 11 Status REF
Middle East Respiratory Syndrome (MERS) 1D64 Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
Chemical Identifiers
Formula
C29H41ClN2O4
Canonical SMILES
CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC.Cl
InChI
1S/C29H40N2O4.ClH/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;1H/t18-,21-,24+,25-;/m0./s1
InChIKey
HUEYSSLYFJVUIS-MRFSYGAJSA-N
Cross-matching ID
PubChem CID
6603320
CAS Number
316-42-7
TTD ID
D0UK7Z

References

1 High-Throughput Screening and Identification of Potent Broad-Spectrum Inhibitors of Coronaviruses. J Virol. 2019 May 29;93(12). pii: e00023-19.