propetandrol (Q7250251)

PROPETANDROL (English)

14 October 2016

chemical formula

C₂₃H₃₆O₃

1 reference

PROPETANDROL (English)

14 October 2016

canonical SMILES

CCC(=O)OC1CCC2C3CCC4(C(C3CCC2=C1)CCC4(CC)O)C

1 reference

PROPETANDROL (English)

14 October 2016

isomeric SMILES

CCC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@]4([C@H]([C@@H]3CCC2=C1)CC[C@]4(CC)O)C

1 reference

PROPETANDROL (English)

InChI=1S/C23H36O3/c1-4-21(24)26-16-7-9-17-15(14-16)6-8-19-18(17)10-12-22(3)20(19)11-13-23(22,25)5-2/h14,16-20,25H,4-13H2,1-3H3/t16-,17-,18+,19+,20-,22-,23-/m0/s1

14 October 2016

Identifiers

InChI

1 reference

PROPETANDROL (English)

ODOMHABFTBNARE-JSDYAUHVSA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

PROPETANDROL (English)

14 October 2016

2 references

UNII

K0H1J6311W

propetandrol (English)

ODOMHABFTBNARE-JSDYAUHVSA-N

14 October 2016

InChIKey

10 April 2021

https://commonchemistry.cas.org/detail?cas_rn=3638-82-2

1 reference

propetandrol (English)

14 October 2016

1 reference

PROPETANDROL (English)

14 October 2016

1 reference

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

PROPETANDROL (English)

14 October 2016

1 reference

1 reference

DSSTOX compound identifier

0 references

1 reference

Global Substance Registration System

UNII

K0H1J6311W

propetandrol (English)