NORGESTIMATE

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Synonyms
Status
Molecule Category Free-form
UNII C291HFX4DY
EPA CompTox DTXSID1046922

Structure

InChI Key KIQQMECNKUGGKA-NMYWJIRASA-N
Smiles C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=C/C(=N/O)CC[C@@H]4[C@H]3CC[C@@]21CC
InChI
InChI=1S/C23H31NO3/c1-4-22-12-10-19-18-9-7-17(24-26)14-16(18)6-8-20(19)21(22)11-13-23(22,5-2)27-15(3)25/h2,14,18-21,26H,4,6-13H2,1,3H3/b24-17+/t18-,19+,20+,21-,22-,23-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H31NO3
Molecular Weight 369.51
AlogP 4.71
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 58.89
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 27.0

Pharmacology

Mechanism of Action Action Reference
Progesterone receptor agonist AGONIST DailyMed

Target Conservation

Protein: Progesterone receptor
Description: Progesterone receptor
Organism : Homo sapiens
P06401 ENSG00000082175

Related Entries

Cross References

Resources Reference
ChEBI 50815
ChEMBL CHEMBL1200934
DrugBank DB00957
DrugCentral 1968
FDA SRS C291HFX4DY
Human Metabolome Database HMDB0015092
Guide to Pharmacology 7091
PharmGKB PA164744346
PubChem 6540478
SureChEMBL SCHEMBL38317
ZINC ZINC000003938695
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