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98319-26-7

Basic Information
CAS No.: 98319-26-7
Name: Finasteride
Article Data: 40
Molecular Structure:
Molecular Structure of 98319-26-7 (Finasteride)
Formula: C23H36N2O2
Molecular Weight: 372.551
Synonyms: Proscar (TN);Finasteride (USP);Finpecia;4-Azaandrost-1-ene-17-carboxamide, N-(1,1-dimethylethyl)-3-oxo-, (5alpha,17beta)-;Proscar;Finastid;Propecia (TN);Propecia;MK-0906;MK 906;Finasteride [USAN:BAN:INN];MK-906;Prostide;Chibro-Proscar;Finasterida [INN-Spanish];Finasteridum [INN-Latin];N-tert-butyl-4-aza-5alpha-androsta-3-oxo-17beta-carboxamide;Finasteride 99%;
EINECS: 620-534-3
Density: 1.065 g/cm3
Melting Point: 253 °C
Boiling Point: 576.6 °C at 760 mmHg
Flash Point: 177.4 °C
Solubility: DMSO: 32 mg/mL, soluble; insoluble in water
Appearance: white to off-white crystalline powder
Hazard Symbols: HarmfulXn,ToxicT,IrritantXi
Risk Codes: 22-61-60-36/37/38
Safety: 36/37/39-45-53-36-26
PSA: 58.20000
LogP: 4.53420
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    98319-26-7 - Physico-chemical Properties Molecular Formula C23H36N2O2 Molar Mass 372.54 Density 1.065±0.06 g/cm3(Predicted) Melting Point 253 °C Boling Point 576.6±50.0 &d

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Specification

1. Introduction of Finasteride

Finasteride, with the IUPAC Name of (1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-tert-Butyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide, is one kind of white crystalline powder. Its classification code are Drug / Therapeutic Agent; Enzyme inhibitors; Inhibitor [alpha reductase] and Reproductive Effect. This chemical belongs to the Product Categories which include Active Pharmaceutical Ingredients; API; Biochemistry; Steroids; Steroids (Others); Intermediates & Fine Chemicals; Pharmaceuticals; Vitamin Ingredients; Intracellular receptor.

2. Properties of Finasteride

Finasteride has the following datas: (1)Index of Refraction: 1.523; (2)Molar Refractivity: 106.9 cm3; (3)Molar Volume: 349.5 cm3; (4)Density: 1.065 g/cm3; (5)Flash Point: 177.4 °C; (6)Melting point: 253 °C; (7)Surface Tension: 37.7 dyne/cm; (8)Water solubility: insoluble; (9)Solubility: DMSO: 32 mg/mL, soluble; (10)Enthalpy of Vaporization: 86.34 kJ/mol; (11)Boiling Point: 576.6 °C at 760 mmHg; (12)Vapour Pressure: 2.69E-13 mmHg at 25 °C.

3. Structure Descriptors of Finasteride

You could convert the following datas into the molecular structure:
(1).Canonical SMILES: CC12CCC3C(C1CCC2C(=O)NC(C)(C)C)CCC4C3(C=CC(=O)N4)C
(2).Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C)CC[C@@H]4[C@@]3(C=CC(=O)N4)C
(3).InChI: InChI=1S/C23H36N2O2/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4/h11,13-18H,6-10,12H2,1-5H3,(H,24,26)(H,25,27)/t14-,15-,16-,17+,18+,22-,23+/m0/s1
(4).InChIKey: DBEPLOCGEIEOCV-WSBQPABSSA-N

4. Toxicity of Finasteride

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 oral > 1gm/kg (1000mg/kg) GASTROINTESTINAL: NAUSEA OR VOMITING Kiso to Rinsho. Clinical Report. Vol. 28, Pg. 4091, 1994.
mouse LD50 intraperitoneal 372mg/kg (372mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
BEHAVIORAL: ATAXIA
LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Kiso to Rinsho. Clinical Report. Vol. 28, Pg. 4091, 1994.
mouse LD50 oral 486mg/kg (486mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
BEHAVIORAL: ATAXIA
LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Kiso to Rinsho. Clinical Report. Vol. 28, Pg. 4091, 1994.
mouse LD50 subcutaneous > 2gm/kg (2000mg/kg)   Kiso to Rinsho. Clinical Report. Vol. 28, Pg. 4091, 1994.
rat LD50 intraperitoneal 885mg/kg (885mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
GASTROINTESTINAL: ULCERATION OR BLEEDING FROM SMALL INTESTINE
GASTROINTESTINAL: PERITONITIS
Kiso to Rinsho. Clinical Report. Vol. 28, Pg. 4091, 1994.
rat LD50 oral 418mg/kg (418mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH
LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Kiso to Rinsho. Clinical Report. Vol. 28, Pg. 4091, 1994.
rat LD50 subcutaneous > 2gm/kg (2000mg/kg) SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" Kiso to Rinsho. Clinical Report. Vol. 28, Pg. 4091, 1994.

5. Safety Information of Finasteride

Hazard Codes: HarmfulXn,ToxicT,IrritantXi
Risk Statements: 22-61-60-36/37/38 
R22:Harmful if swallowed. 
R61:May cause harm to the unborn child. 
R60:May impair fertility. 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 36/37/39-45-53-36-26 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) 
S53:Avoid exposure - obtain special instructions before use. 
S36:Wear suitable protective clothing. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 3
RTECS: CL5245000

6. Use of Finasteride

Finasteride (CAS NO.98319-26-7) is used as a treatment in benign prostatic hyperplasia (BPH) in low doses, and prostate cancer in higher doses. A May, 2008 study indicates that finasteride reduces the rate of prostate cancer by 30%. It is also indicated for use in combination with doxazosin therapy to reduce the risk for symptomatic progression of BPH. Additionally, it is registered in many countries for androgenetic alopecia (male-pattern baldness).