norethisterone   Click here for help

GtoPdb Ligand ID: 2880

Synonyms: Micronor® | norethindrone | Noriday®
Approved drug PDB Ligand
norethisterone is an approved drug (FDA (1973))
Compound class: Synthetic organic
Comment: A synthetic progestational hormone but more potently inhibits ovulation than does progesterone.
Marketed formulations may contain norethisterone acetate (PubChem CID 5832).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 0
Topological polar surface area 37.3
Molecular weight 298.19
XLogP 3.24
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES C#CC1(O)CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12
Isomeric SMILES C#C[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12
InChI 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
InChI Key VIKNJXKGJWUCNN-XGXHKTLJSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1973))
WHO Essential Medicine WHO Model List of Essential Medicines (21st List, 2019). Access PDF version.
IUPAC Name Click here for help
(8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
International Nonproprietary Names Click here for help
INN number INN
687 norethisterone
Synonyms Click here for help
Micronor® | norethindrone | Noriday®
Database Links Click here for help
CAS Registry No. 68-22-4 (source: Scifinder)
ChEMBL Ligand CHEMBL1162
DrugBank Ligand DB00717
DrugCentral Ligand 1962
GtoPdb PubChem SID 135650731
PubChem CID 6230
RCSB PDB Ligand NDR
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Wikipedia Norethisterone