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Basic Information
CAS No.: 31828-50-9
Name: Cephradine hydrate
Molecular Structure:
Molecular Structure of 31828-50-9 (Cephradine hydrate)
Formula: C16H19 N3 O4 S . 2 H2 O
Molecular Weight: 475.58
Synonyms: 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-[2-amino-2-(1,4-cyclohexadien-1-yl)acetamido]-3-methyl-8-oxo-, hydrate,D- (8CI); 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,7-[[(2R)-amino-1,4-cyclohexadien-1-ylacetyl]amino]-3-methyl-8-oxo-, dihydrate,(6R,7R)- (9CI); Cefradin hydrate; Cefradine dihydrate; Cephradine dihydrate;Cephradine hydrate; Sefril hydrate; Velosef hydrate
Melting Point: 183-185℃
Safety: Moderately toxic by intraperitoneal and intravenous routes. Mildly toxic by ingestion. When heated to decomposition it emits toxic fumes of SOx and NOx.
PSA: 141.52000
LogP: 1.82710
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Chemistry

IUPAC Name: (6R,7R)-7-[(2-Amino-2-cyclohexa-1,4-dien-1-ylacetyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid dihydrate
Synonyms of Sefril hydrate (CAS NO.31828-50-9): Cefradin hydrate ; Cephradine dihydrate ; Sefril hydrate ; Velosef hydrate ; 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(2-amino-2-(1,4-cyclohexadien-1-yl)acetamido)-3-methyl-8-oxo-, hydrate, D-
CAS NO: 31828-50-9
Molecular Formula: C16H23N3O6S
Molecular Weight : 349.4048
Molecular Structure:
H bond acceptors: 7
H bond donors: 4
Freely Rotating Bonds: 5
Polar Surface Area: 95.46Å2
Index of Refraction: 1.683
Molar Refractivity: 90.03 cm3
Molar Volume: 237.2 cm3
Surface Tension: 74.6 dyne/cm
Density: 1.47 g/cm3
Flash Point: 373 °C
Enthalpy of Vaporization: 110.65 kJ/mol
Boiling Point: 693.1 °C at 760 mmHg
Vapour Pressure: 4.85E-21 mmHg at 25°C

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 700mg/kg (700mg/kg) BEHAVIORAL: ATAXIA Antimicrobial Agents and Chemotherapy. Vol. 3, Pg. 682, 1973.
mouse LD50 intravenous 3gm/kg (3000mg/kg) BEHAVIORAL: ATAXIA Antimicrobial Agents and Chemotherapy. Vol. 3, Pg. 682, 1973.
mouse LD50 oral 5gm/kg (5000mg/kg)   Antimicrobial Agents and Chemotherapy. Vol. 3, Pg. 682, 1973.
rat LD50 intraperitoneal 4gm/kg (4000mg/kg) BEHAVIORAL: ATAXIA Antimicrobial Agents and Chemotherapy. Vol. 3, Pg. 682, 1973.
rat LD50 oral > 8500mg/kg (8500mg/kg)   Antimicrobial Agents and Chemotherapy. Vol. 3, Pg. 682, 1973.

Safety Profile

Moderately toxic by intraperitoneal and intravenous routes. Mildly toxic by ingestion. When Sefril hydrate (CAS NO.31828-50-9) is heated to decomposition ,it emits toxic fumes of SOx and NOx.