4,5-Dihydro-5α-hydroxy-Mifepristone 3-ethylene Ketal

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H41NO4
Molecular Weight	491.6615
Optical Activity	( + )
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4,5-Dihydro-5α-hydroxy-Mifepristone 3-ethylene Ketal

Structure Search

SMILES

[H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](C3=CC=C(C=C3)N(C)C)C4=C5CCC6(C[C@]5(O)CC[C@@]24[H])OCCO6

InChI

InChIKey=RIJGHAHZKTWZNK-NJPSTFMDSA-N

InChI=1S/C31H41NO4/c1-5-13-30(34)15-11-25-23-10-14-29(33)20-31(35-17-18-36-31)16-12-26(29)27(23)24(19-28(25,30)2)21-6-8-22(9-7-21)32(3)4/h6-9,23-25,33-34H,10-12,14-20H2,1-4H3/t23-,24+,25-,28-,29+,30-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C31H41NO4
Molecular Weight	491.6615
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:15:14 GMT 2023` Edited by `admin` on `Sat Dec 16 18:15:14 GMT 2023`
Record UNII	F2K6B9N6M6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4,5-Dihydro-5α-hydroxy-Mifepristone 3-ethylene Ketal

Common Name

English

Estr-9-en-3-one, 11-[4-(dimethylamino)phenyl]-5,17-dihydroxy-17-(1-propyn-1-yl)-, cyclic 1,2-ethanediyl acetal, (5α,11β,17β)-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID101103565

Created by admin on Sat Dec 16 18:15:14 GMT 2023 , Edited by admin on Sat Dec 16 18:15:14 GMT 2023

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PUBCHEM

40872452

Created by admin on Sat Dec 16 18:15:14 GMT 2023 , Edited by admin on Sat Dec 16 18:15:14 GMT 2023

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CAS

84371-64-2

Created by admin on Sat Dec 16 18:15:14 GMT 2023 , Edited by admin on Sat Dec 16 18:15:14 GMT 2023

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FDA UNII

F2K6B9N6M6

Created by admin on Sat Dec 16 18:15:14 GMT 2023 , Edited by admin on Sat Dec 16 18:15:14 GMT 2023

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