Otenzepad supplier | CasNO.100158-38-1

Name
Otenzepad
EINECS
CAS No. 100158-38-1
Article Data2
CAS DataBase
Density 1.171 g/cm³
Solubility
Melting Point
Formula C₂₄H₃₁N₅O₂
Boiling Point 573.2 °C at 760 mmHg
Molecular Weight 421.54
Flash Point 300.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (+-)-11-((2-((Diethylamino)methyl)piperidino)acetyl)-5,11-dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one;UNII-OM7J0XAL0S;11-({2-[(diethylamino)methyl]piperidin-1-yl}acetyl)-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one;6H-Pyrido[2,3-b][1,4]benzodiazepin-6-one, 11-[2-[2-[(diethylamino)methyl]-1-piperidinyl]acetyl]-5,11-dihydro-;
PSA
LogP

Otenzepad Specification

The Otenzepad, with the CAS registry number 100158-38-1, is also known as 6H-Pyrido[2,3-b][1,4]benzodiazepin-6-one, 11-[2-[2-[(diethylamino)methyl]-1-piperidinyl]acetyl]-5,11-dihydro-. This chemical's molecular formula is C₂₄H₃₁N₅O₂ and molecular weight is 421.54. What's more, its IUPAC name is 11-[2-[2-(diethylaminomethyl)piperidin-1-yl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one. Its classification codes are: (1)Anti-Arrhythmia Agents; (2)Autonomic Agents; (3)Cardiovascular Agents; (4)Parasympatholytics; (5)Peripheral Nervous System Agents.

Physical properties of Otenzepad are: (1)ACD/LogP: 1.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.32; (4)ACD/LogD (pH 7.4): -0.8; (5)ACD/BCF (pH 5.5): 1; (6)ACD/KOC (pH 5.5): 1; (7)#H bond acceptors: 7; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 59.99 Å²; (11)Index of Refraction: 1.579; (12)Molar Refractivity: 119.72 cm³; (13)Molar Volume: 359.7 cm³; (14)Polarizability: 47.46×10^-24cm³; (15)Surface Tension: 47.9 dyne/cm; (16)Density: 1.171 g/cm³; (17)Flash Point: 300.5 °C; (18)Enthalpy of Vaporization: 85.91 kJ/mol; (19)Boiling Point: 573.2 °C at 760 mmHg; (20)Vapour Pressure: 3.8E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCN(CC)CC1CCCCN1CC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4
(2)InChI: InChI=1S/C24H31N5O2/c1-3-27(4-2)16-18-10-7-8-15-28(18)17-22(30)29-21-13-6-5-11-19(21)24(31)26-20-12-9-14-25-23(20)29/h5-6,9,11-14,18H,3-4,7-8,10,15-17H2,1-2H3,(H,26,31)
(3)InChIKey: UBRKDAVQCKZSPO-UHFFFAOYSA-N

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Otenzepad

Otenzepad Specification

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