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Cephalexin monohydrate

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Name

Cephalexin monohydrate

EINECS 239-773-6
CAS No. 23325-78-2 Density 1.5g/cm3
PSA 147.26000 LogP 1.40970
Solubility NH4OH 1 M: 50 mg/mL, clear, yellow Melting Point N/A
Formula C16H17N3O4S.H2O Boiling Point 727.4 °C at 760 mmHg
Molecular Weight 365.40 Flash Point 393.7 °C
Transport Information N/A Appearance white crystalline solid with bitter taste
Safety 22-36/37-45 Risk Codes 42/43
Molecular Structure Molecular Structure of 23325-78-2 (5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methyl-8-oxo-, hydrate (1:1),(6R,7R)-) Hazard Symbols HarmfulXn
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;

 

Cephalexin monohydrate 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

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