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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H30O5
Molecular Weight 386.4813
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 17α-Acetoxy-6-hydroxymethyl-3,20-dioxo-19-nor-pregna-4,6-diene

SMILES

[H][C@@]12CC[C@](OC(C)=O)(C(C)=O)[C@@]1(C)CC[C@]3([H])[C@@]4([H])CCC(=O)C=C4C(CO)=C[C@@]23[H]

InChI

InChIKey=ZYBJYPZVKRMJHY-YQLZSBIMSA-N
InChI=1S/C23H30O5/c1-13(25)23(28-14(2)26)9-7-21-20-10-15(12-24)19-11-16(27)4-5-17(19)18(20)6-8-22(21,23)3/h10-11,17-18,20-21,24H,4-9,12H2,1-3H3/t17-,18-,20-,21+,22+,23+/m1/s1

HIDE SMILES / InChI

Molecular Formula C23H30O5
Molecular Weight 386.4813
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 19:55:50 GMT 2023
Edited
by admin
on Sat Dec 16 19:55:50 GMT 2023
Record UNII
YC98W76BX8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
17α-Acetoxy-6-hydroxymethyl-3,20-dioxo-19-nor-pregna-4,6-diene
Systematic Name English
Nomegestrol acetate 6-hydroxy metabolite
Common Name English
19-Norpregna-4,6-diene-3,20-dione, 17-(acetyloxy)-6-(hydroxymethyl)-
Systematic Name English
Nomegestrol acetate 6-hydroxy impurity
Common Name English
TX-219
Common Name English
Code System Code Type Description
CAS
147508-44-9
Created by admin on Sat Dec 16 19:55:51 GMT 2023 , Edited by admin on Sat Dec 16 19:55:51 GMT 2023
PRIMARY
FDA UNII
YC98W76BX8
Created by admin on Sat Dec 16 19:55:51 GMT 2023 , Edited by admin on Sat Dec 16 19:55:51 GMT 2023
PRIMARY
PUBCHEM
18664612
Created by admin on Sat Dec 16 19:55:51 GMT 2023 , Edited by admin on Sat Dec 16 19:55:51 GMT 2023
PRIMARY
Related Record Type Details
METABOLITE LESS ACTIVE -> PARENT
NOMAC was shown to undergo hepatic metabolism via the cytochrome P450 (CYP) system (CYP3A3, 3A4, and 2A6), with hydroxylation to six primary metabolites that have little or no progestational activity.