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| CAS No.: | 977-79-7 |
|---|---|
| Name: | Medrogestone |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C23H32O2 |
| Molecular Weight: | 340.506 |
| Synonyms: | 6,17-Dimethyl-6-dehydroprogesterone;6,17-Dimethylpregna-4,6-diene-3,20-dione;AY 13615;AY 13615S;AY 62022;Colpro;Colprone;Etogyn;Medrogesterone;Metrogestone;NSC123018;Prothil;Pregna-4,6-diene-3,20-dione,6,17-dimethyl-; |
| EINECS: | 213-555-0 |
| Density: | 1.083 g/cm3 |
| Melting Point: | 144-146° |
| Boiling Point: | 467.17 °C at 760 mmHg |
| Flash Point: | 173.668 °C |
| Solubility: | 1.82mg/L(25 oC) |
| PSA: | 34.14000 |
| LogP: | 5.27970 |
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Specification
1. Introduction of Medrogestone
Medrogestone is one kind of powder. The IUPAC Name of this chemical is 17-acetyl-6,10,13,17-tetramethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one. Besides, Medrogestone belongs to Antineoplastic. Its Classification Code is Antineoplastic Agents; Antineoplastic agents, hormonal; Hormone; Progestin; Reproductive Effect. Solubility of medrogestone in water is 0.00001 M. Medrogestone can soluble in organic solvents.
2. Properties of Medrogestone
Physical properties about Medrogestone are:
(1)Molecular Formula: C23H32O2; (2)Molecular Weight: 340.5g/mol; (3)Mol File: 977-79-7.mol; (4)Einecs: 213-555-0; (5)Boiling point: 467.2 °C at 760 mmHg; (6)Flash Point: 173.7 °C; (7)Density: 1.08 g/cm3; (8)Surface Tension: 40.7 dyne/cm; (9)Enthalpy of Vaporization: 72.91 kJ/mol; (10)Vapour Pressure: 6.66E-09 mmHg at 25°C; (11)XLogP3-AA: 4.1; (12)H-Bond Donor: 0; (13)H-Bond Acceptor: 2.
3. Structure Descriptors of Medrogestone
(1)InChI: InChI=1S/C23H32O2/c1-14-12-17-18(21(3)9-6-16(25)13-20(14)21)7-11-23(5)19(17)8-10-22(23,4)15(2)24/h12-13,17-19H,6-11H2,1-5H3/t17-,18+,19+,21-,22-,23+/m1/s1
(2)InChIKey: InChIKey=HCFSGRMEEXUOSS-JXEXPEPMSA-N
(3)Smiles: [C@H]12[C@H]3[C@@]([C@](CC3)(C(=O)C)C)(CC[C@@H]1[C@@]1(C(=CC(=O)CC1)C(=C2)C)C)C
(4)Canonical SMILES : CC1=CC2C(CCC3(C2CCC3(C)C(=O)C)C)C4(C1=CC(=O)CC4)C
4. Toxicity of Medrogestone
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| guinea pig | LD50 | oral | 850mg/kg (850mg/kg) | United States Patent Document. Vol. #4230702, |
5. Physical Properties of Medrogestone
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | 144 | deg C | EXP | |
| log P (octanol-water) | 4.450 | (none) | EST | |
| Water Solubility | 1.82 | mg/L | 25 | EXP |
| Atmospheric OH Rate Constant | 2.56E-10 | cm3/molecule-sec | 25 | EST |
6. Safety information of Medrogestone
Moderately toxic by ingestion. An experimental teratogen. Experimental reproductive effects. A steroid. When heated to decomposition it emits acrid smoke and irritating fumes.
7. Uses of Medrogestone
Medrogestone is a progestin, a synthetic drug with similar effects as progesterone, a hormone involved in the menstrual cycle and pregnancy.