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| CAS No.: | 23325-78-2 |
|---|---|
| Name: | CEPHALEXIN MONOHYDRATE |
| Molecular Structure: | |
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|
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| Formula: | C16H17N3O4S.H2O |
| Molecular Weight: | 365.40 |
| Synonyms: | 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-(2-amino-2-phenylacetamido)-3-methyl-8-oxo-, monohydrate, D- (8CI);5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,7-[(aminophenylacetyl)amino]-3-methyl-8-oxo-, monohydrate, [6R-[6a,7b(R*)]]-;5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-[[(2R)-aminophenylacetyl]amino]-3-methyl-8-oxo-, monohydrate, (6R,7R)-(9CI);Cephalexin monohydrate; |
| EINECS: | 239-773-6 |
| Density: | 1.5g/cm3 |
| Boiling Point: | 727.4 °C at 760 mmHg |
| Flash Point: | 393.7 °C |
| Solubility: | NH4OH 1 M: 50 mg/mL, clear, yellow |
| Appearance: | white crystalline solid with bitter taste |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 42/43 |
| Safety: | 22-36/37-45 |
| PSA: | 147.26000 |
| LogP: | 1.40970 |
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Specification
The Cephalexin monohydrate with cas registry number of 23325-78-2, belongs to the following product categories: (1)Antibiotics for Research and Experimental Use; (2)beta-Lactams (Antibiotics for Research and Experimental Use); (3)Biochemistry. It has the systematic name of (6R,7R)-7-{[(2R)-2-amino-2-phenylacetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Physical properties about this chemical are: (1)ACD/LogP: 0.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.83; (4)ACD/LogD (pH 7.4): -2.67; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 7; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 95.46 Å2; (13)Index of Refraction: 1.699; (14)Molar Refractivity: 89.41 cm3; (15)Molar Volume: 231.3 cm3; (16)Polarizability: 35.44×10-24cm3; (17)Surface Tension: 78.5 dyne/cm; (18)Enthalpy of Vaporization: 111.48 kJ/mol; (19)Vapour Pressure: 3.27E-22 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The Cephalexin monohydrate may cause sensitization by inhalation and skin contact. When use it, wear suitable protective clothing, gloves and eye/face protection. Do not breathe dust. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
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@@H](c3ccccc3)N)C)C(=O)O;
(2)InChI: InChI=1/C16H17N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1;
(3)InChIKey: ZAIPMKNFIOOWCQ-UEKVPHQBBS;
(4)Std. InChI: InChI=1S/C16H17N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1;
(5)Std. InChIKey: ZAIPMKNFIOOWCQ-UEKVPHQBSA-N