Urapidil supplier | CasNO.34661-75-1

Name
6-[[3-[4-(2-Methoxyphenyl)-1-piperazinyl]propyl]amino]-1,3-dimethyluracil
EINECS 252-130-4
CAS No. 34661-75-1
Article Data5
CAS DataBase
Density 1.26 g/cm³
Solubility
Melting Point 156-158°
Formula C₂₀H₂₉N₅O₃
Boiling Point 549 °C at 760 mmHg
Molecular Weight 387.482
Flash Point 285.8 °C
Transport Information
Appearance
Safety 26
Risk Codes 22-36/37/38
Molecular Structure
Hazard Symbols Xn
Synonyms B 66256;BKU;Ebrantil;Eupressyl;Mediatensyl;NSC 310405;Uraprene;Uropidil;
PSA 71.74000
LogP 1.59470

Urapidil Specification

The Urapidil, with the CAS registry number 34661-75-1, is also known as 6-({3-[4-(2-Methoxyphenyl)piperazin-1-yl]propyl}amino)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione. It belongs to the product category of API's. Its EINECS registry number is 252-130-4. This chemical's molecular formula is C₂₀H₂₉N₅O₃ and molecular weight is 387.48. What's more, its IUPAC name is called 6-[3-[4-(2-Methoxyphenyl)piperazin-1-yl]propylamino]-1,3-dimethylpyrimidine-2,4-dione. It is a sympatholytic antihypertensive drug.

Physical properties about Urapidil are: (1)ACD/LogP: 2.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.92; (4)ACD/LogD (pH 7.4): 0.18; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 3.28; (9)#H bond acceptors: 8; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 59.57 Å²; (13)Index of Refraction: 1.622; (14)Molar Refractivity: 108.32 cm³; (15)Molar Volume: 307.4 cm³; (16)Surface Tension: 58.9 dyne/cm; (17)Density: 1.26 g/cm³; (18)Flash Point: 285.8 °C; (19)Enthalpy of Vaporization: 82.87 kJ/mol; (20)Boiling Point: 549 °C at 760 mmHg; (21)Vapour Pressure: 4.22E-12 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1\C=C(/N(C(=O)N1C)C)NCCCN3CCN(c2ccccc2OC)CC3
(2) InChI: InChI=1S/C20H29N5O3/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
(3) InChIKey: ICMGLRUYEQNHPF-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
dog	LD50	oral	357mg/kg (357mg/kg)	SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE CARDIAC: PULSE RATE	Oyo Yakuri. Pharmacometrics. Vol. 33, Pg. 453, 1987.
mouse	LD50	intraperitoneal	327mg/kg (327mg/kg)	SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE CARDIAC: PULSE RATE	Oyo Yakuri. Pharmacometrics. Vol. 33, Pg. 453, 1987.
mouse	LD50	intravenous	203mg/kg (203mg/kg)	SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE CARDIAC: PULSE RATE	Oyo Yakuri. Pharmacometrics. Vol. 33, Pg. 453, 1987.
mouse	LD50	oral	508mg/kg (508mg/kg)	SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE CARDIAC: PULSE RATE	Oyo Yakuri. Pharmacometrics. Vol. 33, Pg. 453, 1987.
mouse	LD50	subcutaneous	1847mg/kg (1847mg/kg)	SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE CARDIAC: PULSE RATE	Oyo Yakuri. Pharmacometrics. Vol. 33, Pg. 453, 1987.
rat	LD50	intraperitoneal	314mg/kg (314mg/kg)	SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE CARDIAC: PULSE RATE	Oyo Yakuri. Pharmacometrics. Vol. 33, Pg. 453, 1987.
rat	LD50	intravenous	140mg/kg (140mg/kg)		Arzneimittel-Forschung. Drug Research. Vol. 27, Pg. 1919, 1977.
rat	LD50	oral	520mg/kg (520mg/kg)		Arzneimittel-Forschung. Drug Research. Vol. 27, Pg. 1919, 1977.
rat	LD50	subcutaneous	2192mg/kg (2192mg/kg)	SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE CARDIAC: PULSE RATE	Oyo Yakuri. Pharmacometrics. Vol. 33, Pg. 453, 1987.

Product Name

6-[[3-[4-(2-Methoxyphenyl)-1-piperazinyl]propyl]amino]-1,3-dimethyluracil

Urapidil Specification

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