Carebastine supplier | CasNO.90729-42-3

Name
Carebastine
EINECS
CAS No. 90729-42-3
Density 1.18 g/cm³
Solubility
Melting Point 178-180 °C
Formula C₃₂H₃₇NO₄
Boiling Point 657.9 °C at 760 mmHg
Molecular Weight 499.64
Flash Point 351.7 °C
Transport Information
Appearance Off-White Solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-[4-[4-(4-Benzhydryloxy-1-piperidyl)butanoyl]phenyl]-2-methyl-propanoic acid;Benzeneacetic acid,4-[4-[4-(diphenylmethoxy)- 1-piperidinyl]-1-oxobutyl]-R,R-dimethyl-;p-(4-(4-(Diphenylmethoxy)piperidino)butyryl)-alpha-methylhydratropic acid;Carebastine [INN];Carebastina [Spanish];Benzeneacetic acid, 4-(4-(4-(diphenylmethoxy)-1-piperidinyl)-1-oxobutyl)-alpha,alpha-dimethyl-;Carebastinum [Latin];
PSA 66.84000
LogP 6.22020

Carebastine Specification

The Carebastine, with the CAS registry number 90729-42-3, is also known as p-(4-(4-(Diphenylmethoxy)piperidino)butyryl)-alpha-methylhydratropic acid. It belongs to the product categories of Various Metabolites and Impurities; Intermediates & Fine Chemicals; Metabolites & Impurities; Pharmaceuticals. This chemical's molecular formula is C₃₂H₃₇NO₄ and molecular weight is 499.64. What's more, its IUPAC name is 2-[4-[4-(4-benzhydryloxypiperidin-1-yl)butanoyl]phenyl]-2-methylpropanoic acid. Its classification codes are: (1)Anti-Asthmatic Agents; (2)Histamine Agents; (3)Histamine Antagonists; (4)Histamine H1 antagonists; (5)Neurotransmitter Agents; (6)Respiratory System Agents.

Physical properties of Carebastine are: (1)ACD/LogP: 6.09; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.58; (4)ACD/LogD (pH 7.4): 3.56; (5)ACD/BCF (pH 5.5): 77.11; (6)ACD/BCF (pH 7.4): 73.96; (7)ACD/KOC (pH 5.5): 151.21; (8)ACD/KOC (pH 7.4): 145.02; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 55.84 Å²; (13)Index of Refraction: 1.608; (14)Molar Refractivity: 146.31 cm³; (15)Molar Volume: 422.5 cm³; (16)Polarizability: 58×10^-24cm³; (17)Surface Tension: 54.3 dyne/cm; (18)Density: 1.18 g/cm³; (19)Flash Point: 351.7 °C; (20)Enthalpy of Vaporization: 101.77 kJ/mol; (21)Boiling Point: 657.9 °C at 760 mmHg; (22)Vapour Pressure: 3.31E-18 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C1=CC=C(C=C1)C(=O)CCCN2CCC(CC2)OC(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O
(2)InChI: InChI=1S/C32H37NO4/c1-32(2,31(35)36)27-17-15-24(16-18-27)29(34)14-9-21-33-22-19-28(20-23-33)37-30(25-10-5-3-6-11-25)26-12-7-4-8-13-26/h3-8,10-13,15-18,28,30H,9,14,19-23H2,1-2H3,(H,35,36)
(3)InChIKey: XGHOVGYJHWQGCC-UHFFFAOYSA-N

Product Name

Carebastine

Carebastine Specification

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