NORGESTIMATE

Search structure
Synonyms:
Status: Approved (1989)
Entry Type: Small molecule
Molecule Category: Parent Prodrug
UNII: C291HFX4DY

Structure
InChI Key KIQQMECNKUGGKA-NMYWJIRASA-N
Smile 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

Action Mechanism of Action Reference
AGONIST Progesterone receptor agonist DailyMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neural Tube Defects 3 D009436 ClinicalTrials
Metrorrhagia 2 D008796 ClinicalTrials
Osteoporosis 2 D010024 ClinicalTrials
Hepatitis C 1 D006526 ClinicalTrials
Cystic Fibrosis 1 D003550 ClinicalTrials
Migraine Disorders 1 D008881 ClinicalTrials
HIV Infections 1 D015658 ClinicalTrials

Related Entries

Scaffolds

Mixture
Mixture
Mixture

Cross References

Resources Reference
CAS NUMBER 35189-28-7
ChEBI 50815
ChEMBL CHEMBL1200934
DrugBank DB00957
DrugCentral 1968
EPA CompTox DTXSID1046922
FDA SRS C291HFX4DY
Human Metabolome Database HMDB0015092
Guide to Pharmacology 7091
PharmGKB PA164744346
PubChem 6540478
SureChEMBL SCHEMBL38317
ZINC ZINC000003938695
CONTENTS