(Q83120352)

English

Tipentosin hydrochloride

group of stereoisomers with the chemical formula C₂₁H₂₅NO₃S

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Statements

group of stereoisomers

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chemical compound

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371.15551466 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₅NO₃S

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based on heuristic

inferred from SMILES

canonical SMILES

Cc1cc2c(s1)CCC(CNC1CCC(Oc3ccccc3)C1O)C2=O

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

Cc1cc2c(s1)CCC(CN[C@@H]1CCC(Oc3ccccc3)[C@@H]1O)C2=O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C21H25NO3S/c1-13-11-16-19(26-13)10-7-14(20(16)23)12-22-17-8-9-18(21(17)24)25-15-5-3-2-4-6-15/h2-6,11,14,17-18,21-22,24H,7-10,12H2,1H3/t14?,17-,18?,21-/m1/s1

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IMKMRGOTDDUQHF-CMESAMNASA-N

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CAS Registry Number

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26 December 2021

UniChem compound ID

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DSSTox substance ID

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DSSTOX compound identifier

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