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77883-43-3

Basic Information
CAS No.: 77883-43-3
Name: Doxazosin mesylate
Molecular Structure:
Molecular Structure of 77883-43-3 (Doxazosin mesylate)
Formula: C24H29N5O8S
Molecular Weight: 547.58
Synonyms: Normothen;Supressin;UK 33274-27;doxazolazine mesylate;Piperazine,1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-[(2,3-dihydro-1,4-benzodioxin-2-yl)carbonyl]-,monomethanesulfonate (9CI);Alfadil;Cardenalin;Cardran;1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-(1,4-benzodioxan-2-ylcarbonyl) piperazine methanesulfonate;Cardura (pharmaceutical);Diblocin;[4-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl](2,3-dihydro-1,4-benzodioxin-2-yl)methanone methanesulfonate (1:1);Doxazosin monomethanesulfonate;Doxazosin mesylate;
EINECS: 1308068-626-2
Melting Point: 275-277 °C
Boiling Point: 718 °C at 760 mmHg
Flash Point: 388 °C
Appearance: White crystalline powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36/37
PSA: 175.02000
LogP: 2.88670
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Specification

1. Introduction of Doxazosin mesylate

Doxazosin mesylate is one kind of white crystalline powder. It belongs to the product categories of Active Pharmaceutical Ingredients; Antihypertensive; Intermediates & Fine Chemicals; Pharmaceuticals; Adrenoceptor. What's more, its systematic name is [4-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl](2,3-dihydro-1,4-benzodioxin-2-yl)methanone methanesulfonate (1:1). Its classification codes are: (1)Antihypertensive; (2)Drug / Therapeutic Agent; (3)Reproductive Effect. This chemical is an α1a-selective alpha blocker used to treat high blood pressure and urinary retention associated with benign prostatic hyperplasia (BPH).

2. Properties of Doxazosin mesylate

Physical properties of Doxazosin mesylate (1:1) are: (1)ACD/LogP: 0.649; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -0.33; (4)ACD/LogD (pH 7.4): 0.60; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.65; (7)ACD/KOC (pH 5.5): 5.62; (8)ACD/KOC (pH 7.4): 48.37; (9)#H bond acceptors: 10; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 89.49 Å2; (13)Flash Point: 388 °C; (14)Enthalpy of Vaporization: 104.92 kJ/mol; (15)Boiling Point: 718 °C at 760 mmHg; (16)Vapour Pressure: 1.83E-20 mmHg at 25°C.

3. Structure Descriptors of Doxazosin mesylate

You could convert the following datas into the molecular structure:
(1)SMILES: O=S(=O)(O)C.O=C(N3CCN(c2nc1cc(OC)c(OC)cc1c(n2)N)CC3)C4Oc5c(OC4)cccc5
(2)Std. InChI: InChI=1S/C23H25N5O5.CH4O3S/c1-30-18-11-14-15(12-19(18)31-2)25-23(26-21(14)24)28-9-7-27(8-10-28)22(29)20-13-32-16-5-3-4-6-17(16)33-20;1-5(2,3)4/h3-6,11-12,20H,7-10,13H2,1-2H3,(H2,24,25,26);1H3,(H,2,3,4)
(3)Std. InChIKey: VJECBOKJABCYMF-UHFFFAOYSA-N

4. Toxicity of Doxazosin mesylate

Organism Test Type
Route
Reported Dose (Normalized Dose) Effect Source
dog LD50 oral > 1gm/kg (1000mg/kg)   Drugs in Japan Vol. -, Pg. 712, 1990.
mouse LD50 intraperitoneal 247mg/kg (247mg/kg)   Drugs in Japan Vol. -, Pg. 712, 1990.
mouse LD50 oral 2935mg/kg (2935mg/kg)   Drugs in Japan Vol. -, Pg. 712, 1990.
mouse LD50 subcutaneous 4087mg/kg (4087mg/kg)   Drugs in Japan Vol. -, Pg. 712, 1990.
rat LD50 intraperitoneal 380mg/kg (380mg/kg)   Drugs in Japan Vol. -, Pg. 712, 1990.
rat LD50 oral > 5gm/kg (5000mg/kg)   Drugs in Japan Vol. -, Pg. 712, 1990.
rat LD50 subcutaneous > 5gm/kg (5000mg/kg)   Drugs in Japan Vol. -, Pg. 712, 1990.

5. Safety Information of Doxazosin mesylate

When you are using this chemical, please be cautious about it as the following:
This chemcial is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need to wear suitable protective clothing and gloves.