Basic information
- Name:
2,4(1H,3H)-Pyrimidinedione,6-[[3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl]amino]-1,3-dimethyl-,hydrochloride (1:1)
- Superlist Name:
- Urapidil hydrochloride
- CAS No.:
64887-14-5
- Molecular Structure:
![Molecular Structure of 64887-14-5 (2,4(1H,3H)-Pyrimidinedione,6-[[3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl]amino]-1,3-dimethyl-,hydrochloride (1:1))](http://www.lookchem.com/300w/2010/0623/64887-14-5.jpg)
- Formula:
- C20H29N5O3.HCl
- Molecular Weight:
- 423.94
- Synonyms:
- 2,4(1H,3H)-Pyrimidinedione,6-[[3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl]amino]-1,3-dimethyl-,monohydrochloride (9CI);Urapidil hydrochloride;
- Melting Point:
- 156-158 °C
- Boiling Point:
- 549 °C at 760 mmHg
- Flash Point:
- 285.8 °C
- Solubility:
- soluble in water
- Appearance:
- white to off-white crystalline powder
- Hazard Symbols:
Xn- Risk Codes:
- 22-36/37/38
- Safety Description:
- 26-36 Details
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Specification
The Urapidil hydrochloride is an organic compound with the formula C20H29N5O3.HCl. The IUPAC name of this chemical is 6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-1,3-dimethylpyrimidine-2,4-dione hydrochloride. With the CAS registry number 64887-14-5, it is also named as 2,4(1H,3H)-Pyrimidinedione, 6-((3-(4-(2-methoxyphenyl)-1-piperazinyl)propyl)amino)-1,3-dimethyl-, monohydrochloride. The product's categories are Intermediates & Fine Chemicals; Pharmaceuticals; Adrenoceptor. Besides, it is a white to off-white crystalline powder.
Physical properties about Urapidil hydrochloride are: (1)ACD/LogP: 2.28; (2)ACD/LogD (pH 5.5): -0.92; (3)ACD/LogD (pH 7.4): 0.18; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 3.28; (8)#H bond acceptors: 8; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 59.57 Å2; (12)Flash Point: 285.8 °C; (13)Enthalpy of Vaporization: 82.87 kJ/mol; (14)Boiling Point: 549 °C at 760 mmHg; (15)Vapour Pressure: 4.22E-12 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O=C1\C=C(/N(C(=O)N1C)C)NCCCN3CCN(c2ccccc2OC)CC3
(2)InChI: InChI=1/C20H29N5O3.ClH/c1-22-18(15-19(26)23(2)20(22)27)21-9-6-10-24-11-13-25(14-12-24)16-7-4-5-8-17(16)28-3;/h4-5,7-8,15,21H,6,9-14H2,1-3H3;1H
(3)InChIKey: KTMLZVUAXJERAT-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C20H29N5O3.ClH/c1-22-18(15-19(26)23(2)20(22)27)21-9-6-10-24-11-13-25(14-12-24)16-7-4-5-8-17(16)28-3;/h4-5,7-8,15,21H,6,9-14H2,1-3H3;1H CopyCopied
(5)Std. InChIKey: KTMLZVUAXJERAT-UHFFFAOYSA-N