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

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H28O2
Molecular Weight 312.4458
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 17-HYDROXY-7.BETA.-METHYL-19-NOR-17.ALPHA.-PREGN-5(10)-EN-20-YN-3-ONE

SMILES

[H][C@@]12CC[C@](O)(C#C)[C@@]1(C)CC[C@]3([H])C4=C(C[C@H](C)[C@@]23[H])CC(=O)CC4

InChI

InChIKey=WZDGZWOAQTVYBX-GFAAQHNSSA-N
InChI=1S/C21H28O2/c1-4-21(23)10-8-18-19-13(2)11-14-12-15(22)5-6-16(14)17(19)7-9-20(18,21)3/h1,13,17-19,23H,5-12H2,2-3H3/t13-,17+,18-,19+,20-,21+/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H28O2
Molecular Weight 312.4458
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:16:12 GMT 2023
Edited
by admin
on Sat Dec 16 15:16:12 GMT 2023
Record UNII
WAA8CM8G7H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
17-HYDROXY-7.BETA.-METHYL-19-NOR-17.ALPHA.-PREGN-5(10)-EN-20-YN-3-ONE
Systematic Name English
TIBOLONE IMPURITY D [EP IMPURITY]
Common Name English
Code System Code Type Description
PUBCHEM
94029866
Created by admin on Sat Dec 16 15:16:12 GMT 2023 , Edited by admin on Sat Dec 16 15:16:12 GMT 2023
PRIMARY
FDA UNII
WAA8CM8G7H
Created by admin on Sat Dec 16 15:16:12 GMT 2023 , Edited by admin on Sat Dec 16 15:16:12 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP