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| CAS No.: | 105889-45-0 |
|---|---|
| Name: | Cefcapene pivoxil |
| Molecular Structure: | |
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| Formula: | C23H29N5O8S2 |
| Molecular Weight: | 567.644 |
| Synonyms: | 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,3-[[(aminocarbonyl)oxy]methyl]-7-[[(2Z)-2-(2-amino-4-thiazolyl)-1-oxo-2-pentenyl]amino]-8-oxo-,(2,2-dimethyl-1-oxopropoxy)methyl ester, (6R,7R)- (9CI);5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,3-[[(aminocarbonyl)oxy]methyl]-7-[[2-(2-amino-4-thiazolyl)-1-oxo-2-pentenyl]amino]-8-oxo-,(2,2-dimethyl-1-oxopropoxy)methyl ester, [6R-[6a,7b(Z)]]-;Cefcamate pivoxil;Flumax;S 1108;Cefcapene pivoxil; |
| EINECS: | 1806241-263-5 |
| Density: | 1.47 g/cm3 |
| Melting Point: | 158-164°C |
| Boiling Point: | 888.4 °C at 760 mmHg |
| Flash Point: | 491.1 °C |
| PSA: | 246.78000 |
| LogP: | 2.96830 |
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Specification
This chemical is called Cefcapene pivoxil, and its systematic name is 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-(((aminocarbonyl)oxy)methyl)-7-(((2Z)-2-(2-amino-4-thiazolyl)-1-oxo-2-pentenyl)amino)-8-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester, (6R,7R)-. With CAS registry number 105889-45-0, its product categories are Chiral Reagents; Intermediates & Fine Chemicals; Pharmaceuticals. Additionally, it's an oral cephem antibiotic and prodrug of S-1006.
Other characteristics of the Cefcapene pivoxil can be summarised as followings: (1)ACD/LogP: 1.10; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 1.02; (4)ACD/LogD (pH 7.4): 1.1; (5)ACD/BCF (pH 5.5): 3.39; (6)ACD/BCF (pH 7.4): 4.02; (7)ACD/KOC (pH 5.5): 79.41; (8)ACD/KOC (pH 7.4): 94.22; (9)#H bond acceptors: 13; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 13; (12)Polar Surface Area: 192.43 Å2; (13)Index of Refraction: 1.638; (14)Molar Refractivity: 138.91 cm3; (15)Molar Volume: 386.1 cm3; (16)Polarizability: 55.07×10-24cm3; (17)Surface Tension: 74.4 dyne/cm; (18)Density: 1.47 g/cm3; (19)Flash Point: 491.1 °C; (20)Enthalpy of Vaporization: 129.15 kJ/mol; (21)Boiling Point: 888.4 °C at 760 mmHg; (22)Vapour Pressure: 3.51E-32 mmHg at 25°C.
This chemical could be obtained by the raw materials of compound (I) and compound (I), the synthesis of this chemcial is as follows:
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Uses of this chemical: This chemical is cephalosporins. It's used as the precursor drug. It will play a role when in the free acid dissociation. Additionally, it can be taken orally.
You can still convert the following datas into molecular structure:
1.SMILES: O=C2N1/C(=C(\CS[C@@H]1[C@@H]2NC(=O)C(=C/CC)\c3nc(sc3)N)COC(=O)N)C(=O)OCOC(=O)C(C)(C)C
2.InChI: InChI=1/C23H29N5O8S2/c1-5-6-12(13-9-38-21(24)26-13)16(29)27-14-17(30)28-15(11(7-34-22(25)33)8-37-18(14)28)19(31)35-10-36-20(32)23(2,3)4/h6,9,14,18H,5,7-8,10H2,1-4H3,(H2,24,26)(H2,25,33)(H,27,29)/b12-6-/t14-,18-/m1/s1
3.InChIKey: WVPAABNYMHNFJG-QDVBXLKVBG