metapristone (Q27281827)

N-Demethyl Mifepristone (English)

14 October 2016

chemical formula

C₂₈H₃₃NO₂

1 reference

N-Demethyl Mifepristone (English)

14 October 2016

canonical SMILES

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

1 reference

N-Demethyl Mifepristone (English)

14 October 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)NC)C)O

1 reference

N-Demethyl Mifepristone (English)

InChI=1S/C28H33NO2/c1-4-14-28(31)15-13-25-23-11-7-19-16-21(30)10-12-22(19)26(23)24(17-27(25,28)2)18-5-8-20(29-3)9-6-18/h5-6,8-9,16,23-25,29,31H,7,10-13,15,17H2,1-3H3/t23-,24+,25-,27-,28-/m0/s1

14 October 2016

Identifiers

InChI

1 reference

N-Demethyl Mifepristone (English)

IBLXOBHABOVXDY-WKWWZUSTSA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

N-Demethyl Mifepristone (English)

14 October 2016

2 references

UNII

K1P8OGJ86J

metapristone (English)

IBLXOBHABOVXDY-WKWWZUSTSA-N

14 October 2016

InChIKey

10 April 2021

https://commonchemistry.cas.org/detail?cas_rn=104004-96-8

1 reference

Estra-4,9-dien-3-one, 17-hydroxy-11-(4-(methylamino)phenyl)-17-(1-propynyl)-, (11beta,17beta)- (English)

14 October 2016

1 reference

N-Demethyl Mifepristone (English)

14 October 2016

1 reference

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

DESMETHYLMIFEPRISTONE (English)

14 October 2016

1 reference

inferred from InChIKey

1 reference

1 reference

DSSTOX compound identifier

0 references

1 reference

Global Substance Registration System

UNII

K1P8OGJ86J

metapristone (English)