The Perindopril is an organic compound with the formula C19H32N2O5. The IUPAC name of this chemical is (2S,3aS,7aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxopentan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid. With the CAS registry number 82834-16-0, it is also named as Perindopril Erbumine. The product's categories are Perindopril; Intermediates & Fine Chemicals; Pharmaceuticals. Besides, it is a long-acting ACE inhibitor, it can stable coronary artery disease and treat essential hypertension.
Physical properties about Perindopril are: (1)ACD/LogP: 3.36; (2)ACD/LogD (pH 5.5): 1.16; (3)ACD/LogD (pH 7.4): -0.15; (4)ACD/BCF (pH 5.5): 1.31; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 9.98; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 7; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 9; (11)Polar Surface Area: 76.15 Å2; (12)Index of Refraction: 1.512; (13)Molar Refractivity: 96.17 cm3; (14)Molar Volume: 320.3 cm3; (15)Polarizability: 38.12×10-24cm3; (16)Surface Tension: 44.9 dyne/cm; (17)Density: 1.15 g/cm3; (18)Flash Point: 278.8 °C; (19)Enthalpy of Vaporization: 89.06 kJ/mol; (20)Boiling Point: 537.4 °C at 760 mmHg; (21)Vapour Pressure: 5.63E-13 mmHg at 25°C.
Preparation: this chemical can be prepared by Compound (I) and compounds (II).
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)[C@@H](N[C@H](C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@H]12)C)CCC
(2)InChI: InChI=1/C19H32N2O5/c1-4-8-14(19(25)26-5-2)20-12(3)17(22)21-15-10-7-6-9-13(15)11-16(21)18(23)24/h12-16,20H,4-11H2,1-3H3,(H,23,24)/t12-,13-,14-,15-,16-/m0/s1
(3)InChIKey: IPVQLZZIHOAWMC-QXKUPLGCBD
(4)Std. InChI: InChI=1S/C19H32N2O5/c1-4-8-14(19(25)26-5-2)20-12(3)17(22)21-15-10-7-6-9-13(15)11-16(21)18(23)24/h12-16,20H,4-11H2,1-3H3,(H,23,24)/t12-,13-,14-,15-,16-/m0/s1
(5)Std. InChIKey: IPVQLZZIHOAWMC-QXKUPLGCSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
dog | LD50 | oral | > 1600mg/kg (1600mg/kg) | Cardiovascular Drug Reviews. Vol. 10, Pg. 446, 1992. | |
monkey | LD50 | oral | > 500mg/kg (500mg/kg) | GASTROINTESTINAL: NAUSEA OR VOMITING | Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 22, Pg. 1679, 1994. |
mouse | LD50 | intravenous | 679mg/kg (679mg/kg) | Cardiovascular Drug Reviews. Vol. 10, Pg. 446, 1992. | |
mouse | LD50 | oral | > 2500mg/kg (2500mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 22, Pg. 1673, 1994. |
rat | LD50 | intravenous | 323mg/kg (323mg/kg) | Cardiovascular Drug Reviews. Vol. 10, Pg. 446, 1992. | |
rat | LD50 | oral | > 3gm/kg (3000mg/kg) | Cardiovascular Drug Reviews. Vol. 10, Pg. 446, 1992. | |
women | TDLo | oral | 58mg/kg/2Y-I (58mg/kg) | BLOOD: AGRANULOCYTOSIS | Annales de Medecine Interne. Vol. 147, Pg. 523, 1996. |
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