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Concept information

Preferred term

هیدرات دی هیدروکلراید Emetine  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

charge

  • 0

formula

  • C29H40N2O4.H2O.ClH.ClH

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

mass

  • 571.580

monoisotopicmass

  • 570.26273

smiles

  • Cl.Cl.C=1C(=C(C=C2C1CCN3C[C@@H]([C@@](C[C@@]23[H])([H])C[C@@]4([H])NCCC=5C4=CC(=C(C5)OC)OC)CC)OC)OC.O

subset

  • 3_STAR

synonym EXACT

  • (2S)-6',7',10,11-tetramethoxyemetan dihydrochloride--water (1/1)

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:146000

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