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| CAS No.: | 302-22-7 |
|---|---|
| Name: | Chlormadinone acetate |
| Molecular Structure: | |
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| Formula: | C23H29ClO4 |
| Molecular Weight: | 404.934 |
| Synonyms: | 17-(Acetyloxy)-6-chloropregna-4,6-diene-3,20-dione;6-Chloro-17-alpha-acetoxy-4,6-pregnadiene-3,20-dione;6-Chloro-6-dehydro-17alpha-acetoxyprogesterone;Chlordion;Progesterone, 6-chloro-6-dehydro-17-hydroxy-, acetate; |
| EINECS: | 206-118-0 |
| Density: | 1.23 g/cm3 |
| Melting Point: | 212 °C |
| Boiling Point: | 512.5 °C at 760 mmHg |
| Flash Point: | 172.5 °C |
| Appearance: | crystalline solid |
| Hazard Symbols: |
 T
|
| Risk Codes: | 60-61-40-48 |
| Safety: | 53-22-36/37/39-45 |
| PSA: | 60.44000 |
| LogP: | 4.75170 |
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Consensus Reports
Specification
The Chlormadinone acetate with cas registry number of 302-22-7 is a crystalline solid. It is also called 6-Chloro-delta(4,6)-pregnadiene-17a-ol-3,20-dionacetate; 6-Chloro-delta6-dehydro-17a-acetoxyprogesterone. It has an IUPAC name which is [(8R,9S,10R,13S,14S,17R)-17-acetyl-6-chloro-10,13-dimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate. This chemical belongs to the following categories: Intermediates & Fine Chemicals; Pharmaceuticals; Steroids with EINECS registry number of 206-118-0.
The physical properties about this chemical are: (1)ACD/LogP: 3.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.42; (4)ACD/LogD (pH 7.4): 3.42; (5)ACD/BCF (pH 5.5): 235.55; (6)ACD/BCF (pH 7.4): 235.55; (7)ACD/KOC (pH 5.5): 1735.97; (8)ACD/KOC (pH 7.4): 1735.97; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.562; (13)Molar Refractivity: 106.62 cm3; (14)Molar Volume: 328.5 cm3; (15)Surface Tension: 46.6 dyne/cm; (16)Density: 1.23 g/cm3; (17)Flash Point: 172.5 °C; (18)Enthalpy of Vaporization: 78.38 kJ/mol; (19)Boiling Point: 512.5 °C at 760 mmHg; (20)Vapour Pressure: 1.28E-10 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
Suspected carcinogen with experimental carcinogenic and tumorigenic data. Moderately toxic by intraperitoneal route. Human maternal and reproductive effects by ingestion, intramuscular, and possibly other routes: ovary, uterus, cervix, vagina, and fallopian tube changes; menstrual cycle changes or disorders; changes in fertility; and other unspecified female effects. A human teratogen that causes developmental abnormalities of the endocrine system in the fetus. Experimental teratogenic and reproductive effects. An oral contraceptive. When heated to decomposition it emits toxic fumes of Cl-.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1S/C23H29ClO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h11-12,16-18H,5-10H2,1-4H3/t16-,17+,18+,21-,22+,23+/m1/s1;
(2)Smiles: C12=CC(=O)CC[C@@]1([C@@H]1[C@@H](C=C2Cl)[C@H]2[C@@]([C@@](CC2)(OC(=O)C)C(=O)C)(CC1)C)C
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 3gm/kg (3000mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) ENDOCRINE: ADRENAL CORTEX HYPOPLASIA | Kiso to Rinsho. Clinical Report. Vol. 11, Pg. 571, 1977. |
| mouse | LD50 | intravenous | > 2gm/kg (2000mg/kg) | SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE BEHAVIORAL: ATAXIA SKIN AND APPENDAGES (SKIN): HAIR: OTHER | Oyo Yakuri. Pharmacometrics. Vol. 15, Pg. 1121, 1978. |
| mouse | LD50 | oral | > 15gm/kg (15000mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) ENDOCRINE: ADRENAL CORTEX HYPOPLASIA | Kiso to Rinsho. Clinical Report. Vol. 11, Pg. 571, 1977. |
| mouse | LD50 | subcutaneous | > 10gm/kg (10000mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) ENDOCRINE: ADRENAL CORTEX HYPOPLASIA | Kiso to Rinsho. Clinical Report. Vol. 11, Pg. 571, 1977. |
| rat | LD50 | intraperitoneal | 5gm/kg (5000mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Oyo Yakuri. Pharmacometrics. Vol. 4, Pg. 217, 1970. |
| rat | LD50 | oral | > 10gm/kg (10000mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) ENDOCRINE: ADRENAL CORTEX HYPOPLASIA | Kiso to Rinsho. Clinical Report. Vol. 11, Pg. 571, 1977. |
| rat | LD50 | subcutaneous | > 10gm/kg (10000mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) ENDOCRINE: ADRENAL CORTEX HYPOPLASIA | Kiso to Rinsho. Clinical Report. Vol. 11, Pg. 571, 1977. |