CAS No.99522-79-9,Pranidipine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	99522-79-9
Name:	Pranidipine
Article Data:	3

Formula:	C₂₅H₂₄N₂O₆
Molecular Weight:	448.475
Synonyms:	3,5-Pyridinedicarboxylicacid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, methyl(2E)-3-phenyl-2-propenyl ester (9CI);3,5-Pyridinedicarboxylic acid,1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, methyl 3-phenyl-2-propenyl ester,(E)-;FRC 8411;OPC 13340;
EINECS:	1592732-453-0
Density:	1.254 g/cm³
Melting Point:	140-142 °C
Boiling Point:	618.9 °C at 760 mmHg
Flash Point:	328.1 °C
Appearance:	yellow solid
PSA:	110.45000
LogP:	5.11120

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Specification

The 3,5-Pyridinedicarboxylicacid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-methyl5-[(2E)-3-phenyl-2-propen-1-yl] ester, with the CAS registry number 99522-79-9, is also known as Methyl cinnamyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate. It belongs to the product categories of Intermediates & Fine Chemicals; Pharmaceuticals. Its IUPAC name is called 3-O-methyl 5-O-[(E)-3-phenylprop-2-enyl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate. This chemical's classification codes are Calcium channel blockers; Cardiovascular Agents; Drug / Therapeutic Agent; Membrane Transport Modulators; Reproductive Effect. It is yellow solid which can be used as novel calcium channel antagonist; cardiovascular agent.

Physical properties of 3,5-Pyridinedicarboxylicacid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-methyl5-[(2E)-3-phenyl-2-propen-1-yl] ester: (1)ACD/LogP: 5.35; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.35; (4)ACD/LogD (pH 7.4): 5.35; (5)ACD/BCF (pH 5.5): 6798.2; (6)ACD/BCF (pH 7.4): 6807.95; (7)ACD/KOC (pH 5.5): 19259.27; (8)ACD/KOC (pH 7.4): 19286.87; (9)#H bond acceptors: 8; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 9; (12)Index of Refraction: 1.606; (13)Molar Refractivity: 123.36 cm³; (14)Molar Volume: 357.6 cm³; (15)Surface Tension: 50 dyne/cm; (16)Density: 1.253 g/cm³; (17)Flash Point: 328.1 °C; (18)Enthalpy of Vaporization: 91.76 kJ/mol; (19)Boiling Point: 618.9 °C at 760 mmHg; (20)Vapour Pressure: 3.02E-15 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC\C=C\c1ccccc1)\C2=C(\N/C(=C(/C(=O)OC)C2c3cccc([N+]([O-])=O)c3)C)C
(2)InChI: InChI=1/C25H24N2O6/c1-16-21(24(28)32-3)23(19-12-7-13-20(15-19)27(30)31)22(17(2)26-16)25(29)33-14-8-11-18-9-5-4-6-10-18/h4-13,15,23,26H,14H2,1-3H3/b11-8+
(3)InChIKey: XTFPDGZNWTZCMF-DHZHZOJOBA

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
dog	LD50	oral	> 2gm/kg (2000mg/kg)	GASTROINTESTINAL: NAUSEA OR VOMITING	Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 21, Pg. 1245, 1993.
mouse	LD50	intraperitoneal	81mg/kg (81mg/kg)	SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE BLOOD: NORMOCYTIC ANEMIA	Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 21, Pg. 1245, 1993.
mouse	LD50	intravenous	> 150mg/kg (150mg/kg)		United States Patent Document. Vol. #4672068,
mouse	LD50	subcutaneous	> 5gm/kg (5000mg/kg)	SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE SKIN AND APPENDAGES (SKIN): HAIR: OTHER	Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 21, Pg. 1245, 1993.
mouse	LDLo	oral	2551mg/kg (2551mg/kg)	SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE BLOOD: NORMOCYTIC ANEMIA	Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 21, Pg. 1245, 1993.
rat	LD50	intraperitoneal	166mg/kg (166mg/kg)	GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" BLOOD: NORMOCYTIC ANEMIA	Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 21, Pg. 1245, 1993.
rat	LD50	oral	2968mg/kg (2968mg/kg)	SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 21, Pg. 1245, 1993.
rat	LD50	subcutaneous	1670mg/kg (1670mg/kg)	SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"	Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 21, Pg. 1245, 1993.