Structure Database (LMSD)
Common Name
Norethindrone
Systematic Name
17α-hydroxy-19-norpregn-4-en-20-yn-3-one
Synonyms
LM ID
LMST02030097
Formula
Exact Mass
Calculate m/z
298.19328
Sum Composition
Status
Active
3D model of Norethindrone
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
VIKNJXKGJWUCNN-XGXHKTLJSA-N
InChi (Click to copy)
InChI=1S/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,12,15-18,22H,4-11H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1
SMILES (Click to copy)
[C@@]12([H])CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H]
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
synthetic construct
(#32630)
Steroids LIV. Synthesis of 19-nor-17alpha-ethynyltestosterone and 19-nor-17alpha-methyltestosterone. 1954.,
Am J Obstet Gynecol, 2006
Am J Obstet Gynecol, 2006
Pubmed ID:
16389045
Other Databases
Wikipedia
KEGG ID
HMDB ID
CHEBI ID
PubChem CID
Cayman ID
PDB ID
GuidePharm ID
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
4
Aromatic Rings
0
Rotatable Bonds
0
Van der Waals Molecular Volume
312.14
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
3.78
Molar Refractivity
86.39
Admin
Created at
-
Updated at
20th Mar 2024