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Cyclopenta[b]pyrrole-2-carboxylicacid, 1-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]-1-oxopropyl]octahydro-,(2S,3aS,6aS)- (87269-97-4)

Identification
Name:Cyclopenta[b]pyrrole-2-carboxylicacid, 1-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]-1-oxopropyl]octahydro-,(2S,3aS,6aS)-
Synonyms:Cyclopenta[b]pyrrole-2-carboxylicacid, 1-[2-[(1-carboxy-3-phenylpropyl)amino]-1-oxopropyl]octahydro-,[2S-[1[R*(R*)],2a,3ab,6ab]]-;HOE 498 diacid;Ramipril diacid;Ramiprilat;Ramiprilate;
CAS:87269-97-4
Molecular Formula: C21H28N2O5
Molecular Weight: 388.46
InChI: InChI=1/C21H28N2O5/c1-13(22-16(20(25)26)11-10-14-6-3-2-4-7-14)19(24)23-17-9-5-8-15(17)12-18(23)21(27)28/h2-4,6-7,13,15-18,22H,5,8-12H2,1H3,(H,25,26)(H,27,28)/t13-,15-,16-,17-,18-/m0/s1
Molecular Structure: (C21H28N2O5) Cyclopenta[b]pyrrole-2-carboxylicacid, 1-[2-[(1-carboxy-3-phenylpropyl)amino]-1-oxopropyl]octahydro-...
Properties
Flash Point: 336.2°C
Boiling Point: 632.2°C at 760 mmHg
Density:1.273g/cm3
Refractive index:1.583
Appearance:white to off-white solid
Specification:

This chemical is called Ramiprilat, and its systematic name is (2S,3aS,6aS)-1-[(2S)-2-{[(1S)-1-carboxy-3-phenylpropyl]amino}propanoyl]octahydrocyclopenta[b]pyrrole-2-carboxylic acid (non-preferred name). With the molecular formula of C21H28N2O5, its molecular weight is 388.46. The CAS registry number of this chemical is 87269-97-4, and its product categories are Various Metabolites and Impurities; Intermediates & Fine Chemicals; Metabolites & Impurities; Pharmaceuticals. In addition, this chemical is white to off-white solid, and it's often used as a Metabolite of Ramipril.
 
Other characteristics of the Ramiprilat can be summarised as followings: (1)ACD/LogP: 2.53; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 7; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 8; (10)Polar Surface Area: 76.15 Å2; (11)Index of Refraction: 1.583; (12)Molar Refractivity: 101.94 cm3; (13)Molar Volume: 304.9 cm3; (14)Polarizability: 40.41×10-24cm3; (15)Surface Tension: 57.4 dyne/cm; (16)Density: 1.273 g/cm3; (17)Flash Point: 336.2 °C; (18)Enthalpy of Vaporization: 98.26 kJ/mol; (19)Boiling Point: 632.2 °C at 760 mmHg; (20)Vapour Pressure: 7.47E-17 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes and skin, so you should wear suitable protective clothing when you use it. In case of contacting 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(O)[C@@H](N[C@H](C(=O)N1[C@H](C(=O)O)C[C@@H]2CCC[C@H]12)C)CCc3ccccc3
(2)InChI: InChI=1/C21H28N2O5/c1-13(22-16(20(25)26)11-10-14-6-3-2-4-7-14)19(24)23-17-9-5-8-15(17)12-18(23)21(27)28/h2-4,6-7,13,15-18,22H,5,8-12H2,1H3,(H,25,26)(H,27,28)/t13-,15-,16-,17-,18-/m0/s1

Flash Point: 336.2°C
Storage Temperature: Refrigerator, Under Inert Atmosphere
Usage:A metabolite of Ramipril
Safety Data
 

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