CAS No.302-22-7,Chlormadinone acetate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	302-22-7
Name:	Chlormadinone acetate
Article Data:	26

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

IARC Cancer Review: Animal Limited Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 21 , 1979,p. 365.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Sufficient Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 6 , 1974,p. 149.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) .

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.