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


Main

Classification

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
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

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Created at
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Updated at
20th Mar 2024