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38821-53-3

38821-53-3 structural image
Product Name: Cefradine
Formula: C16H19N3O4S
Synonyms: Cefradin;Cephradine;Cephradine dihydrate
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Color/Form WHITE, CRYSTALLINE POWDER; POLYMORPHIC
Melting Point 140 °C
Flash Point No Data
Solubility 21300 mg/L
LogP LogP = -1.50
Stability/Shelf Life ACID STABLE
Dissociation Constants PKA1 ABOUT 2.6, PKA2 ABOUT 7.3
Other Experimental Properties MP 140-142 °C (DECOMP);PK1 = 2.63, PK2 = 7.57 /CEPHRADINE MONOHYDRATE/

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Exclamation Mark
Irritant
GHS07

Health Hazard
GHS08
GHS Hazard Statements H315:Skin corrosion/irritation
H317:Sensitisation, Skin
H319:Serious eye damage/eye irritation
H334:Sensitisation, respiratory
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P280:Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 349.4 g/mol
XLogP3 0.4
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 4
Exact Mass 349.10962727 g/mol
Monoisotopic Mass 349.10962727 g/mol
Topological Polar Surface Area 138 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 697
Isotope Atom Count 0
Defined Atom Stereocenter Count 3
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Cephradine is a first-generation cephalosporin antibiotic with a methyl substituent at position 3, and a (2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetamido substituent at position 7, of the cephem skeleton. It has a role as an antibacterial drug. It is a cephalosporin and a beta-lactam antibiotic allergen.