CAS No.104746-04-5,S-10-MONOHYDROXY-DIHYDRO-CARBAMAZEPIN Suppliers

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Basic Information

Molecular Structure:
CAS No.:	104746-04-5
Name:	S-10-MONOHYDROXY-DIHYDRO-CARBAMAZEPIN
Article Data:	32

Formula:	C₁₅H₁₄N₂O₂
Molecular Weight:	254.288
Synonyms:	5H-Dibenz[b,f]azepine-5-carboxamide,10,11-dihydro-10-hydroxy-, (S)-;(S)-(+)-10,11-Dihydro-10-hydroxy-5H-dibenz[b,f]azepine-5-carboxamide;(S)-Licarbazepine;BIA 2-194;CGP 13751;Erelib;Eslicarbazepine;Pazzul;Stedesa;
Density:	1.336 g/cm³
Melting Point:	188-190°C
Boiling Point:	431.275 °C at 760 mmHg
Flash Point:	214.628 °C
Appearance:	off-white solid
PSA:	66.56000
LogP:	3.25820

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Specification

This chemical is called 5H-Dibenz[b,f]azepine-5-carboxamide,10,11-dihydro-10-hydroxy-, (10S)-, and its systematic name is (10S)-10-hydroxy-10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxamide. With the molecular formula of C₁₅H₁₄N₂O₂, its molecular weight is 254.28. The CAS registry number of this chemical is 104746-04-5. Additionally, its product categories are Chiral Reagents; Metabolites. It's an optically active metabolite of carbamazepine.

Other characteristics of the 5H-Dibenz[b,f]azepine-5-carboxamide,10,11-dihydro-10-hydroxy-, (10S)- can be summarised as followings: (1)ACD/LogP: 0.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 3; (6)ACD/BCF (pH 7.4): 3; (7)ACD/KOC (pH 5.5): 77; (8)ACD/KOC (pH 7.4): 77; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 66.56 Å²; (13)Index of Refraction: 1.677; (14)Molar Refractivity: 71.672 cm³; (15)Molar Volume: 190.279 cm³; (16)Polarizability: 28.413×10^-24cm³; (17)Surface Tension: 65.245 dyne/cm; (18)Density: 1.336 g/cm³; (19)Flash Point: 214.628 °C; (20)Enthalpy of Vaporization: 72.403 kJ/mol; (21)Boiling Point: 431.275 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(N)N3c1ccccc1C[C@H](O)c2c3cccc2
2.InChI: InChI=1/C15H14N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8,14,18H,9H2,(H2,16,19)/t14-/m0/s1
3.InChIKey: BMPDWHIDQYTSHX-AWEZNQCLBZ