U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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

Approval Year

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