(Q82007594)

English

Emetine, 2'-(2-hydroxy-3-(4-methyl-1-piperazinyl)propyl)-, tetrahydrochloride

group of stereoisomers with the chemical formula C₃₇H₆₀Cl₄N₄O₅

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

780.3317817400001 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₇H₆₀Cl₄N₄O₅

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1CC1c2cc(OC)c(OC)cc2CCN1CC(O)CN1CCN(C)CC1.Cl.Cl.Cl.Cl

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1c2cc(OC)c(OC)cc2CCN1CC(O)CN1CCN(C)CC1.Cl.Cl.Cl.Cl

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C37H56N4O5.4ClH/c1-7-25-22-40-10-8-26-18-34(43-3)36(45-5)20-30(26)32(40)16-28(25)17-33-31-21-37(46-6)35(44-4)19-27(31)9-11-41(33)24-29(42)23-39-14-12-38(2)13-15-39;;;;/h18-21,25,28-29,32-33,42H,7-17,22-24H2,1-6H3;4*1H/t25-,28+,29?,32-,33+;;;;/m0..../s1

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InChIKey

LOLFMTWOSKPZSJ-YNKDXIQBSA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID00228040

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(Q82007594)

Emetine, 2'-(2-hydroxy-3-(4-methyl-1-piperazinyl)propyl)-, tetrahydrochloride

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Identifiers

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