norgestimate
Facts
11 properties- Instance of
- type of chemical entity
- Subclass of
- (13-Ethyl-17-ethynyl-3-hydroxyimino-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl) acetate
- Has use
- medication
- Canonical SMILES
- CCC12CCC3C(C1CCC2(C#C)OC(=O)C)CCC4=CC(=NO)CCC34
- Chemical formula
- C₂₃H₃₁NO₃
- Different from
- norgestomet
- Isomeric SMILES
- CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)OC(=O)C)CCC4=C/C(=N/O)/CC[C@H]34
- Mass
- +369.230394
- Medical condition treated
- amenorrhea
- Subject has role
- synthetic oral contraceptives
- World Health Organisation international non-proprietary name
- norgestimate
- CAS Registry Number
- 35189-28-7
- ChEBI ID
- 50815
- ChEMBL ID
- CHEMBL1200934
- ChemSpider ID
- 5022837
- DSSTOX compound identifier
- DTXCID9026922
- DSSTox substance ID
- DTXSID1046922
- DrugBank ID
- DB00957
- DrugCentral ID
- 1968
- EC number
- 639-446-1
- ECHA Substance Infocard ID
- 100.167.085
- Freebase ID
- /m/07dgfx
- Guide to Pharmacology Ligand ID
- 7091
Show all 29 identifiers +17
- HSDB ID
- 7898
- Human Metabolome Database ID
- HMDB0015092
- InChIKey
- KIQQMECNKUGGKA-NMYWJIRASA-N
- KEGG ID
- D05209
- MassBank accession ID
- MSBNK-Athens_Univ-AU280001, MSBNK-Athens_Univ-AU280002, MSBNK-Athens_Univ-AU280004, MSBNK-Athens_Univ-AU280005, MSBNK-Athens_Univ-AU280003, MSBNK-Athens_Univ-AU280006
- MeSH descriptor ID
- C017576
- Microsoft Academic ID (discontinued)
- 2776859230
- NDF-RT ID
- N0000148272
- NSC number
- 759159
- Probes And Drugs ID
- PD009617
- PubChem CID
- 6540478
- RxNorm CUI
- 31994
- SureChEMBL ID
- 38317
- UNII
- C291HFX4DY, NKX8DN6TY9
- UniChem compound ID
- 155986
Has use 1
Medical condition treated 1
← Drug or therapy used for treatment 1
0 sources
Summary
norgestimate is a type of chemical entity[1]. norgestimate is a type of (13-Ethyl-17-ethynyl-3-hydroxyimino-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl) acetate[2].
Key Facts
- Canonical SMILES: CCC12CCC3C(C1CCC2(C#C)OC(=O)C)CCC4=CC(=NO)CCC34[3]
- Chemical formula: C₂₃H₃₁NO₃[4]
- Has use: medication[5]
- Different from: norgestomet[6]
- Isomeric SMILES: CC[C@]12CC[C@H]3C@HCCC4=C/C(=N/O)/CC[C@H]34C@HCCC4=C/C(=N/O)/CC[C@H]34">[7]
- Mass: 369.230394 dalton[8]
- Medical condition treated: amenorrhea[9]
- World Health Organisation international non-proprietary name: norgestimate[10]
- Subject has role: synthetic oral contraceptives[11]