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Basic information

  • Name:
  • 1H-Indole-2-carboxylicacid, 1-[(2S)-2-[[(1S)-1-(ethoxycarbonyl)butyl]amino]-1-oxopropyl]octahydro-,(2S,3aS,7aS)-

  • Superlist Name:
  • Perindopril
  • CAS No.:
  • 82834-16-0

  • Molecular Structure:
  • Formula:
  • C19H32N2O5
  • Molecular Weight:
  • 368.47
  • Deleted CAS:
  • 99149-83-4
  • Synonyms:
  • 1H-Indole-2-carboxylicacid, 1-[2-[[1-(ethoxycarbonyl)butyl]amino]-1-oxopropyl]octahydro-,[2S-[1[R*(R*)],2a,3ab,7ab]]-;McN-A 2833;S 9490;
  • Density:
  • 1.15 g/cm3
  • Melting Point:
  • 100-101 °C
  • Boiling Point:
  • 537.4 °C at 760 mmHg
  • Flash Point:
  • 278.8 °C
  • Appearance:
  • Light pink solid
  • Hazard Symbols:
  • IrritantXi
  • Risk Codes:
  • 36/37/38
  • Safety Description:
  • 26-36 Details

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Specification

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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