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| CAS No.: | 70918-01-3 |
|---|---|
| Name: | Doxazosin hydrochloride |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C23H25N5O5.HCl |
| Molecular Weight: | 487.943 |
| Synonyms: | Piperazine,1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-[(2,3-dihydro-1,4-benzodioxin-2-yl)carbonyl]-,monohydrochloride (9CI);Doxazosin hydrochloride; |
| Boiling Point: | 718 °C at 760 mmHg |
| Flash Point: | 388 °C |
| PSA: | 112.27000 |
| LogP: | 3.10390 |
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- Total:30 Page 1 of 1 1
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Specification
The Doxazosin hydrochloride with the cas number 70918-01-3 is also called Methanone,[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl](2,3-dihydro-1,4-benzodioxin-2-yl)-,hydrochloride (1:1). The IUPAC name is [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone hydrochloride. Its molecular formula is C23H25N5O5.HCl.
The properties of the chemical are: (1)ACD/LogP: 0.65; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 10; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 89.49 Å2; (7)Flash Point: 388 °C; (8)Enthalpy of Vaporization: 104.92 kJ/mol; (9)Boiling Point: 718 °C at 760 mmHg; (10)Vapour Pressure: 1.83×10-20 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O=C(N3CCN(c2nc1cc(OC)c(OC)cc1c(n2)N)CC3)C4Oc5c(OC4)cccc5
(2)InChI: InChI=1/C23H25N5O5.ClH/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;/h3-6,11-12,20H,7-10,13H2,1-2H3,(H2,24,25,26);1H
(3)InChIKey: AQAZIYFEPYHLHC-UHFFFAOYAF