Name: Epitiostanol
SKU: 2363-58-8

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Basic Information

Molecular Structure:
CAS No.:	2363-58-8
Name:	Epitiostanol

Formula:	C₁₉H₃₀OS
Molecular Weight:	306.51
Synonyms:	5α-Androstan-17b-ol, 2α,3α-epithio- (7CI,8CI);10275S;2α,3α-Epithio-5α-androstan-17β-ol;NSC 194684;Thiodrol;
Density:	1.138 g/cm³
Melting Point:	127-128°
Boiling Point:	424.407 °C at 760 mmHg
Flash Point:	206.05 °C
Solubility:	1.2mg/L(37 oC)
PSA:	45.53000
LogP:	4.48390

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Specification

The Epitiostanol, with the CAS registry number 2363-58-8, is also known as 2α,3α-Epithio-5α-androstan-17β-ol. It belongs to the product categories of Inhiitors; Intermediates & Fine Chemicals; Pharmaceuticals; Steroids; Sulfur & Selenium Compounds. This chemical's molecular formula is C₁₉H₃₀OS and molecular weight is 306.51. What's more, its systematic name is (2α,3α,5α,17β)-2,3-Epithioandrostan-17-ol. Its classification code is Reproductive Effect. This chemical is is an anabolic steroid. It is used in therapy of advanced breast cancer.

Physical properties of Epitiostanol are: (1)ACD/LogP: 4.743; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.74; (4)ACD/LogD (pH 7.4): 4.74; (5)ACD/BCF (pH 5.5): 2371.27; (6)ACD/BCF (pH 7.4): 2371.27; (7)ACD/KOC (pH 5.5): 9065.84; (8)ACD/KOC (pH 7.4): 9065.84; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.53 Å²; (13)Index of Refraction: 1.58; (14)Molar Refractivity: 89.579 cm³; (15)Molar Volume: 269.359 cm³; (16)Polarizability: 35.512×10^-24cm³; (17)Surface Tension: 46.314998626709 dyne/cm; (18)Density: 1.138 g/cm³; (19)Flash Point: 206.05 °C; (20)Enthalpy of Vaporization: 78.403 kJ/mol; (21)Boiling Point: 424.407 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O[C@H]5CC[C@H]4[C@H]3[C@@H]([C@@]2([C@H](C[C@@H]1S[C@@H]1C2)CC3)C)CC[C@@]45C
(2)Std. InChI: InChI=1S/C19H30OS/c1-18-8-7-14-12(13(18)5-6-17(18)20)4-3-11-9-15-16(21-15)10-19(11,14)2/h11-17,20H,3-10H2,1-2H3/t11-,12-,13-,14-,15-,16+,17-,18-,19-/m0/s1
(3)Std. InChIKey: OBMLHUPNRURLOK-XGRAFVIBSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
dog	LD	intraperitoneal	> 150mg/kg (150mg/kg)	GASTROINTESTINAL: NAUSEA OR VOMITING GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	Kiso to Rinsho. Clinical Report. Vol. 7, Pg. 2983, 1973.
mouse	LD	oral	> 10gm/kg (10000mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION	Oyo Yakuri. Pharmacometrics. Vol. 7, Pg. 805, 1973.
mouse	LD	subcutaneous	> 10gm/kg (10000mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SKIN AND APPENDAGES (SKIN): HAIR: OTHER ENDOCRINE: OTHER CHANGES	Oyo Yakuri. Pharmacometrics. Vol. 7, Pg. 805, 1973.
mouse	LD50	intraperitoneal	1160mg/kg (1160mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	Oyo Yakuri. Pharmacometrics. Vol. 7, Pg. 805, 1973.
rat	LD	oral	> 6gm/kg (6000mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LIVER: OTHER CHANGES	Oyo Yakuri. Pharmacometrics. Vol. 7, Pg. 805, 1973.
rat	LD	subcutaneous	> 5gm/kg (5000mg/kg)	ENDOCRINE: OTHER CHANGES LIVER: OTHER CHANGES	Oyo Yakuri. Pharmacometrics. Vol. 7, Pg. 805, 1973.
rat	LDLo	intraperitoneal	5gm/kg (5000mg/kg)		Oyo Yakuri. Pharmacometrics. Vol. 7, Pg. 805, 1973.