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Ramiprilat

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Name

Ramiprilat

EINECS N/A
CAS No. 87269-97-4 Density 1.273 g/cm3
PSA 106.94000 LogP 2.23350
Solubility 0.976 mg/L at 25 °C in water Melting Point 139-141°C
Formula C21H28N2O5 Boiling Point 632.2 °C at 760 mmHg
Molecular Weight 388.464 Flash Point 336.2 °C
Transport Information N/A Appearance white to off-white solid
Safety 26-37/39 Risk Codes 36/38
Molecular Structure Molecular Structure of 87269-97-4 (Ramiprilat) Hazard Symbols Xi
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;

Article Data 5

Ramiprilat 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

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