Basic information
- Name:
3,5-Pyridinedicarboxylicacid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-,3-[2-[4-[4-(diphenylmethyl)-1-piperazinyl]phenyl]ethyl] 5-methyl ester,hydrochloride (1:2)
- CAS No.:
133743-71-2
- Molecular Structure:
![Molecular Structure of 133743-71-2 (3,5-Pyridinedicarboxylicacid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-,3-[2-[4-[4-(diphenylmethyl)-1-piperazinyl]phenyl]ethyl] 5-methyl ester,hydrochloride (1:2))](http://www.lookchem.com/300w/2010/0618/133743-71-2.jpg)
- Formula:
- C41H42 N4 O6 . 2 Cl H
- Molecular Weight:
- 759.79
- Synonyms:
- 3,5-Pyridinedicarboxylicacid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-,2-[4-[4-(diphenylmethyl)-1-piperazinyl]phenyl]ethyl methyl ester,dihydrochloride (9CI); AE 0047; Watanidipine dihydrochloride; Watanidipinehydrochloride
- Density:
- g/cm3
- Boiling Point:
- 799.4°Cat760mmHg
- Flash Point:
- 437.3°C
- Safety Description:
- A poison by ingestion, intraperitoneal, and subcutaneous routes. When heated to decomposition it emits toxic vapors of NOx. Details
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Chemistry
Product Name: Watanidipine hydrochloride (CAS NO.133743-71-2)
Molecular Formula: C41H44Cl2N4O6
Molecular Weight: 759.7173g/mol
Mol File: 133743-71-2.mol
Boiling point: 799.4 °C at 760 mmHg
Flash Point: 437.3 °C
Enthalpy of Vaporization: 116.24 kJ/mol
Vapour Pressure: 1.45E-25 mmHg at 25°C
H-Bond Donor: 3
H-Bond Acceptor: 9
Rotatable Bond Count: 12
Tautomer Count: 3
Topological Polar Surface Area: 114
Heavy Atom Count: 53
Complexity: 1250
Undefined Atom StereoCenter Count: 1
Covalently-Bonded Unit Count: 3
Toxicity Data With Reference
| 1. | orl-rat LD50:379 mg/kg | YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. 25 (Suppl 3)(1997),S465. | ||
| 2. | ipr-rat LD50:23,700 µg/kg | YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. 25 (Suppl 3)(1997),S465. | ||
| 3. | scu-rat LD50:150 mg/kg | YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. 25 (Suppl 3)(1997),S465. | ||
| 4. | orl-mus LDLo:1071 mg/kg | YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. 25 (Suppl 3)(1997),S465. | ||
| 5. | ipr-mus LD50:129 mg/kg | YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. 25 (Suppl 3)(1997),S465. | ||
| 6. | scu-mus LD50:552 mg/kg | YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. 25 (Suppl 3)(1997),S465. | ||
| 7. | orl-dog LDLo:25 mg/kg | YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. 25 (Suppl 3)(1997),S483. |
Safety Profile
A poison by ingestion, intraperitoneal, and subcutaneous routes. When heated to decomposition it emits toxic vapors of NOx.
Specification
Watanidipine hydrochloride ,its CAS NO. is 133743-71-2,the synonyms is AE 0047 ; CCRIS 7882 ; Watanidipine HCl ; Watanidipine dihydrochloride ; 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-(4-(4-(diphenylmethyl)-1-piperazinyl)phenyl)ethyl methyl ester, dihydrochloride .