toripristone (Q27265909)

Toripristone (English)

18 November 2016

chemical formula

C₃₁H₃₉NO₂

1 reference

Toripristone (English)

18 November 2016

canonical SMILES

CC#CC1(CCC2C1(CC(C3=C4CCC(=O)C=C4CCC23)C5=CC=C(C=C5)N(C)C(C)C)C)O

1 reference

Toripristone (English)

18 November 2016

isomeric SMILES

CC#C[C@@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)C5=CC=C(C=C5)N(C)C(C)C)C)O

1 reference

Toripristone (English)

InChI=1S/C31H39NO2/c1-6-16-31(34)17-15-28-26-13-9-22-18-24(33)12-14-25(22)29(26)27(19-30(28,31)4)21-7-10-23(11-8-21)32(5)20(2)3/h7-8,10-11,18,20,26-28,34H,9,12-15,17,19H2,1-5H3/t26-,27+,28-,30-,31-/m0/s1

18 November 2016

Identifiers

InChI

1 reference

Toripristone (English)

LOIYXTZQBQVHSF-PABOLRIOSA-N

18 November 2016

InChIKey

1 reference

Global Substance Registration System

Toripristone (English)

18 November 2016

2 references

UNII

711D76P884

toripristone (English)

LOIYXTZQBQVHSF-PABOLRIOSA-N

18 November 2016

InChIKey

9 April 2021

https://commonchemistry.cas.org/detail?cas_rn=91935-26-1

1 reference

Toripristone (English)

18 November 2016

1 reference

Toripristone (English)

18 November 2016

1 reference

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

TORIPRISTONE (English)

18 November 2016

1 reference

inferred from InChIKey

1 reference

1 reference

DSSTOX compound identifier

0 references

1 reference

Global Substance Registration System

UNII

711D76P884

toripristone (English)