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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

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 Thu Jul 06 20:21:45 UTC 2023
Edited
by admin
on Thu Jul 06 20:21:45 UTC 2023
Record UNII
B2TJG34TGL
Record Status Validated (UNII)
Record Version
  • Download
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 Thu Jul 06 20:21:45 UTC 2023 , Edited by admin on Thu Jul 06 20:21:45 UTC 2023
PRIMARY
PUBCHEM
15908061
Created by admin on Thu Jul 06 20:21:45 UTC 2023 , Edited by admin on Thu Jul 06 20:21:45 UTC 2023
PRIMARY
CAS
244206-49-3
Created by admin on Thu Jul 06 20:21:45 UTC 2023 , Edited by admin on Thu Jul 06 20:21:45 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE