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CAS No.: | 77883-43-3 |
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Name: | Doxazosin mesylate |
Molecular Structure: | |
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: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37 |
PSA: | 175.02000 |
LogP: | 2.88670 |
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 |
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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. |