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| CAS No.: | 236395-14-5 |
|---|---|
| Name: | BIA 2-093 |
| Article Data: | 29 |
| Molecular Structure: | |
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| Formula: | C17H16N2O3 |
| Molecular Weight: | 296.326 |
| Synonyms: | (S)-(-)-10-Acetoxy-10,11-dihydro-5H-dibenz[b,f]azepine-5-carboxamide;(S)-10-Acetoxy-10,11-dihydro-5H-dibenz[b,f]azepine-5-carboxamide;BIA 2-093;Eslicarbazepine acetate;Sep 0002093; |
| EINECS: | 636-617-2 |
| Density: | 1.326 g/cm3 |
| Melting Point: | 183-185 °C |
| Boiling Point: | 427.377 °C at 760 mmHg |
| Flash Point: | 212.27 °C |
| Solubility: | insoluble in water |
| Appearance: | White to Off-White Solid |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 72.63000 |
| LogP: | 3.82900 |
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Specification
The Eslicarbazepine acetate, with the CAS registry number 236395-14-5, is also known as (S)-(-)-10-Acetoxy-10,11-dihydro-5H-dibenz[b,f]azepine-5-carboxamide. It belongs to the product categories of APIs; Amines; Aromatics; Heterocycles; Intermediates & Fine Chemicals; Pharmaceuticals. This chemical's molecular formula is C17H16N2O3 and molecular weight is 296.32. What's more, its systematic name is (10S)-5-Carbamoyl-10,11-dihydro-5H-dibenzo[b,f]azepin-10-yl acetate. Its classification code is Adjunctive therapy for adults with partial-onset seizures. This chemical is voltage-gated sodium channel blocker.
Physical properties of Eslicarbazepine acetate are: (1)ACD/LogP: 1.429; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.43; (4)ACD/LogD (pH 7.4): 1.43; (5)ACD/BCF (pH 5.5): 7.18; (6)ACD/BCF (pH 7.4): 7.18; (7)ACD/KOC (pH 5.5): 142.74; (8)ACD/KOC (pH 7.4): 142.74; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 72.63 Å2; (13)Index of Refraction: 1.655; (14)Molar Refractivity: 82.016 cm3; (15)Molar Volume: 223.432 cm3; (16)Polarizability: 32.514×10-24cm3; (17)Surface Tension: 62.98 dyne/cm; (18)Density: 1.326 g/cm3; (19)Flash Point: 212.27 °C; (20)Enthalpy of Vaporization: 68.234 kJ/mol; (21)Boiling Point: 427.377 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O[C@@H]3c1c(cccc1)N(c2ccccc2C3)C(=O)N)C
(2)Std. InChI: InChI=1S/C17H16N2O3/c1-11(20)22-16-10-12-6-2-4-8-14(12)19(17(18)21)15-9-5-3-7-13(15)16/h2-9,16H,10H2,1H3,(H2,18,21)/t16-/m0/s1
(3)Std. InChIKey: QIALRBLEEWJACW-INIZCTEOSA-N