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Cefradine

CAT: 1299-RM-C060500-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-C060500-02Size:25 mg
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CAS Number
38821-53-3
Synonyms
(6R,7R) -7-[[ (2R) -2-amino-2- (1,4-cyclohexadien-1-yl) acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid
Molecular Formula
C16H19N3O4S
Molecular Weight
349.41
Target Alternative Name
Cefradine
Product Name Synonym
(6R,7R) -7-[[ (2R) -2-amino-2- (1,4-cyclohexadien-1-yl) acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid

Chemical Information

Cephradine

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.

CAS Number38821-53-3
PubChem CID38103
IUPAC Name(6R,7R)-7-[[(2R)-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
Molecular FormulaC16H19N3O4S
Molecular Weight349.4
XLogP0.4
Topological Polar Surface Area138
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity697
SMILES
CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CCC=CC3)N)SC1)C(=O)O
InChI
InChI=1S/C16H19N3O4S/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/h2-3,6,10-11,15H,4-5,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1
InChIKey
RDLPVSKMFDYCOR-UEKVPHQBSA-N
Chemical Structure
2D Structure
2D structure of Cephradine
CAS: 38821-53-3
CID: 38103
Formula: C16H19N3O4S
MW: 349.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight349.4
XLogP30.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass349.10962727
Monoisotopic Mass349.10962727
Topological Polar Surface Area138 Ų
Heavy Atom Count24
Formal Charge0
Complexity697
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
C17530Cefradine
AR-C02028-01Cefradine-d5
A11844-500Cefradine 500mg
A11844-100Cefradine 100mg
HY-CE01252Cefradine-CoA
A11844-1000Cefradine 1g
AR-C06754-01Cefradine Dimer
AR-Z00980-01Cefradine Impurity E
AR-C06758-01Cefradine Impurity 8
AR-C06753-01Cefradine Impurity 2

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