ChemicalBook--->CAS DataBase List--->104004-96-8

104004-96-8

104004-96-8 Structure

104004-96-8 Structure
IdentificationBack Directory
[Name]

N-DESMETHYL MIFEPRISTONE
[CAS]

104004-96-8
[Synonyms]

Ru 42633
Metapristone
N-Desmethyl-RU 486
Desmethylmifepristone
N-Methylaminopristone
Mifepristone Impurity 1
N-Demethyl Mifepristone
N-DESMETHYL MIFEPRISTONE
N-DesMethyl Mifepristone-D3
11β-(p-Methylaminophenyl)-17β-hydroxy-17α-(1-propynyl)estra-4,9-diene-3-one
11β-[4-(Methylamino)phenyl]-17β-hydroxy-17-(1-propynyl)estra-4,9-dien-3-one
(11,17)-17-Hydroxy-11-[4-(methylamino)phenyl]-17-(1-propyn-1-yl)-estra-4,9-dien-3-one
Estra-4,9-dien-3-one, 17-hydroxy-11-[4-(methylamino)phenyl]-17-(1-propyn-1-yl)-, (11β,17β)-
[Molecular Formula]

C28H33NO2
[MDL Number]

MFCD00871486
[MOL File]

104004-96-8.mol
[Molecular Weight]

415.57
Chemical PropertiesBack Directory
[Melting point ]

83-86°C
[Boiling point ]

628.9±55.0 °C(Predicted)
[density ]

1.19±0.1 g/cm3(Predicted)
[storage temp. ]

-20°C Freezer
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

12.94±0.60(Predicted)
[color ]

Pale Yellow to Yellow
[InChIKey]

IBLXOBHABOVXDY-MTGMCYKDNA-N
[SMILES]

C12=C3CCC(=O)C=C3CC[C@@]1([H])[C@]1([H])CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H]2C1=CC=C(NC)C=C1 |&1:10,12,16,21,24,r|
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H335-H319-H315
[Precautionary statements ]

P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
[HS Code ]

9999999999
Hazard InformationBack Directory
[Chemical Properties]

Pale Yellow Solid
[Uses]

A metabolite of Mifepristone (M343975).
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