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22252-43-3

22252-43-3 structural image
Product Name: 7-Amino-3-methyl-3-cephem-4-carboxylic acid
Formula: C8H10N2O3S
Synonyms: 7-ADCA;7-Aminodesacetoxycephalosporanic acid
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SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Health Hazard
GHS08
GHS Hazard Statements H412:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P273:Avoid release to the environment.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 214.24 g/mol
XLogP3 -3.1
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 1
Exact Mass 214.04121336 g/mol
Monoisotopic Mass 214.04121336 g/mol
Topological Polar Surface Area 109 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 353
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
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

7beta-aminodeacetoxycephalosporanic acid is a cephem monocarboxylic acid derivative having a structure based on cephalosporanic acid, deacetoxylated and carrying a 7beta-amino group. It is a monocarboxylic acid and a cephalosporin. It is functionally related to a cephalosporanic acid.

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