Showing drug card for Allylestrenol (DB01431)
Legend: drug field target field enzyme field
| Version | 2.5 |
| Creation Date | 2007-07-24 16:58:37 |
| Update Date | 2009-02-19 16:04:38 |
| Primary Accession Number | DB01431 |
| Secondary Accession Number | Not Available |
| Name | Allylestrenol |
| Drug Type |
|
| Description | A synthetic steroid with progestational activity. [PubChem] |
| Synonyms | Not Available |
| Brand Names |
|
| Brand Mixtures | Not Available |
| Chemical IUPAC Name | (8R,9S,10R,13S,14S,17R)-13-methyl-17-prop-2-enyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol |
| Chemical Formula | C21H32O |
| Chemical Structure | |
| CAS Registry Number | 432-60-0 |
| InChI Identifier | InChI=1/C21H32O/c1-3-12-21(22)14-11-19-18-9-8-15-6-4-5-7-16(15)17(18)10-13-20(19,21)2/h3,6,16-19,22H,1,4-5,7-14H2,2H3/t16-,17+,18+,19-,20-,21-/m0/s1 |
| InChI Key | ATXHVCQZZJYMCF-XUDSTZEEBM |
| KEGG Drug | D01374  |
| KEGG Compound | C12811 |
| PubChem Compound | 235905 |
| PubChem Substance | 583200 |
| ChEBI ID | Not Available |
| PharmGKB ID | Not Available |
| HET ID | Not Available |
| GenBank ID | Not Available |
| Drug ID Number [DIN] | Not Available |
| RxList Link | Not Available |
| PDRhealth Link | Not Available |
| Wikipedia Link | Not Available |
| FDA Label | Not Available |
| Material Safety Data Sheet (MSDS) | Not Available |
| Synthesis Reference | Not Available |
| Average Molecular Weight | 300.4782 |
| Monoisotopic Molecular Weight | 300.2453 |
| State | Solid |
| Melting Point | 80 oC |
| Experimental Water Solubility | Not Available Source: PhysProp |
| Predicted Water Solubility | 5.58e-04 mg/mL Calculated using ALOGPS |
| Experimental LogP/Hydrophobicity | Not Available Source: PhysProp |
| Predicted LogP | 5.14 Calculated using ALOGPS |
| Experimental LogS | Not Available |
| Predicted LogS | -5.73 Calculated using ALOGPS |
| Experimental Caco2 Permeability | Not Available |
| pKa/Isoelectric Point | Not Available |
| Mass Spectrum | Not Available |
| MOL File | Show | Download |
| SDF File | Show | Download |
| PDB File | Show | Download |
| 2D Structure | |
| 3D Structure | |
| Experimental PDB ID | Not Available |
| Isomeric SMILES | C[C@]12CC[C@H]3[C@@H](CCC4=CCCC[C@H]34)[C@@H]1CC[C@@]2(O)CC=C |
| Canonical SMILES | CC12CCC3C(CCC4=CCCCC34)C1CCC2(O)CC=C |
| Drug Category |
|
| ATC Codes | |
| AHFS Codes | Not Available |
| Indication | Not Available |
| Pharmacology | Allylestrenol is a progestogen structurally related to progesterone that has been given in threatened and recurrent miscarriage, and to prevent premature labour. However, with the exception of proven progesterone deficiency, such use is no longer recommended. In threatened miscarriage in progesterone-deficient women a suggested dose is 5 mg three times daily by mouth for 5 to 7 days. |
| Mechanism of Action | Not Available |
| Absorption | Not Available |
| Toxicity | Not Available |
| Protein Binding | Not Available |
| Biotransformation | Not Available |
| Half Life | Not Available |
| Dosage Forms | Not Available |
| Patient Information | Not Available |
| Contraindications | Not Available |
| Interactions | Not Available |
| Drug Interactions | Not Available |
| Food Interactions | Not Available |
| Pathways | Not Available |
| General References | Not Available |
| Organisms Affected | Not Available |