CAS No.22609-73-0,Niludipine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	22609-73-0
Name:	Niludipine
Article Data:	2

Formula:	C₂₅H₃₄N₂O₈
Molecular Weight:	490.554
Synonyms:	3,5-Pyridinedicarboxylic acid,1,4-dihydro-2,6-dimethyl-4-(m-nitrophenyl)-, bis(2-propoxyethyl) ester (8CI);Bis(2-propoxyethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate;BAY-a 7168;3,5-Pyridinedicarboxylicacid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3,5-bis(2-propoxyethyl)ester;
EINECS:	245-120-6
Density:	1.176 g/cm³
Melting Point:	83-86 °C
Boiling Point:	597.41 °C at 760 mmHg
Flash Point:	315.102 °C
PSA:	128.91000
LogP:	4.62120

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Specification

The Niludipine, with the CAS registry number 22609-73-0, is also known as 3,5-Pyridinedicarboxylicacid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3,5-bis(2-propoxyethyl) ester. Its EINECS number is 245-120-6. This chemical's molecular formula is C₂₅H₃₄N₂O₈ and molecular weight is 490.55. What's more, its systematic name is Bis(2-propoxyethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate. Its classification codes are: (1)Calcium channel blockers; (2)Cardiovascular Agents; (3)Drug / Therapeutic Agent; (4)Membrane Transport Modulators; (5)Reproductive Effect. This chemical is bis(2-propoxyethyl) analog of nifedipine.

Physical properties of Niludipine are: (1)ACD/LogP: 5.105; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 5.10; (4)ACD/LogD (pH 7.4): 5.11; (5)ACD/BCF (pH 5.5): 4458.80; (6)ACD/BCF (pH 7.4): 4464.30; (7)ACD/KOC (pH 5.5): 14241.30; (8)ACD/KOC (pH 7.4): 14258.87; (9)#H bond acceptors: 10; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 16; (12)Polar Surface Area: 128.91 Å²; (13)Index of Refraction: 1.528; (14)Molar Refractivity: 128.458 cm³; (15)Molar Volume: 417.056 cm³; (16)Polarizability: 50.925×10^-24cm³; (17)Surface Tension: 43.45 dyne/cm; (18)Density: 1.176 g/cm³; (19)Flash Point: 315.102 °C; (20)Enthalpy of Vaporization: 88.984 kJ/mol; (21)Boiling Point: 597.41 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCOCCC)\C1=C(\N/C(=C(/C(=O)OCCOCCC)C1c2cccc([N+]([O-])=O)c2)C)C
(2)Std. InChI: InChI=1S/C25H34N2O8/c1-5-10-32-12-14-34-24(28)21-17(3)26-18(4)22(25(29)35-15-13-33-11-6-2)23(21)19-8-7-9-20(16-19)27(30)31/h7-9,16,23,26H,5-6,10-15H2,1-4H3
(3)Std. InChIKey: VZWXXKDFACOXNT-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	90mg/kg (90mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 12, Pg. 714, 1981.
mouse	LD50	oral	1415mg/kg (1415mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 12, Pg. 714, 1981.
mouse	LD50	subcutaneous	642mg/kg (642mg/kg)	LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 12, Pg. 714, 1981.
rat	LD50	intravenous	40mg/kg (40mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 12, Pg. 714, 1981.
rat	LD50	oral	1469mg/kg (1469mg/kg)	LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 12, Pg. 714, 1981.
rat	LD50	subcutaneous	830mg/kg (830mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 12, Pg. 714, 1981.