Structure Database (LMSD)

Common Name
Norethindrone
Systematic Name
17α-hydroxy-19-norpregn-4-en-20-yn-3-one
Synonyms
LM ID
LMST02030097
Status
Active
Exact Mass
Calculate m/z
298.19328
Formula
C20H26O2
Abbrev
ST 20:4;O2
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MDLMOL SDF CSV TSV
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Main

Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Steroids [ST02]
C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203]

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

Other Databases

Wikipedia
Norethindrone
KEGG ID
C05028
HMDB ID
HMDB0014855
CHEBI ID
7627
PubChem CID
6230
Cayman ID
20941

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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Updated at
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