N,N-DIDESMETHYL ULIPRISTAL ACETATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H33NO4
Molecular Weight	447.5659
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N,N-DIDESMETHYL ULIPRISTAL ACETATE

Structure Search

SMILES

[H][C@@]12CC[C@](OC(C)=O)(C(C)=O)[C@@]1(C)C[C@H](C3=CC=C(N)C=C3)C4=C5CCC(=O)C=C5CC[C@@]24[H]

InChI

InChIKey=XHVDSLPQGABVRO-WKWWZUSTSA-N

InChI=1S/C28H33NO4/c1-16(30)28(33-17(2)31)13-12-25-23-10-6-19-14-21(32)9-11-22(19)26(23)24(15-27(25,28)3)18-4-7-20(29)8-5-18/h4-5,7-8,14,23-25H,6,9-13,15,29H2,1-3H3/t23-,24+,25-,27-,28-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C28H33NO4
Molecular Weight	447.5659
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:48:10 UTC 2023` Edited by `admin` on `Sat Dec 16 14:48:10 UTC 2023`
Record UNII	B2TJG34TGL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N,N-DIDESMETHYL ULIPRISTAL ACETATE

Common Name

English

ULIPRISTAL ACETATE METABOLITE (DI-DEMETHYLATED ULIPRISTAL ACETATE)

Common Name

English

(11.BETA.)-17-(ACETYLOXY)-11-(4-AMINOPHENYL)-19-NORPREGNA-4,9-DIENE-3,20-DIONE

Systematic Name

English

CDB 3963

Code

English

((8S,11R,13S,14S,17R)-17-ACETYL-11-(4-AMINOPHENYL)-13-METHYL-3-OXO-1,2,6,7,8,11,12,14,15,16-DECAHYDROCYCLOPENTA(A)PHENANTHREN-17-YL) ACETATE

Systematic Name

English

19-NORPREGNA-4,9-DIENE-3,20-DIONE, 17-(ACETYLOXY)-11-(4-AMINOPHENYL)-, (11.BETA.)-

Systematic Name

English

N,N-DIDEMETHYL CDB 2914

Common Name

English

DI-DEMETHYLATED ULIPRISTAL ACETATE

Common Name

English

Code System Code Type Description

FDA UNII

B2TJG34TGL

Created by admin on Sat Dec 16 14:48:10 UTC 2023 , Edited by admin on Sat Dec 16 14:48:10 UTC 2023

PRIMARY

PUBCHEM

15908061

Created by admin on Sat Dec 16 14:48:10 UTC 2023 , Edited by admin on Sat Dec 16 14:48:10 UTC 2023

PRIMARY

CAS

244206-49-3

Created by admin on Sat Dec 16 14:48:10 UTC 2023 , Edited by admin on Sat Dec 16 14:48:10 UTC 2023

PRIMARY

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ULIPRISTAL ACETATE

PARENT -> METABOLITE