7-Aminocephalosporanic acid
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7-Aminocephalosporanic acid
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CAS No:
957-68-6
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Formula:
C10H12N2O5S
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Chemical Name:
7-Aminocephalosporanic acid
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Synonyms:
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,3-[(acetyloxy)methyl]-7-amino-8-oxo-,(6R,7R)-;5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,7-amino-3-(hydroxymethyl)-8-oxo-,acetate (ester);5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,3-[(acetyloxy)methyl]-7-amino-8-oxo-,(6R-trans)-;(6R,7R)-3-[(Acetyloxy)methyl]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;7-Aminocephalosporanic acid;3-Acetoxymethyl-7β-aminoceph-3-em-4-carboxylic acid;7β-Amino-3-acetoxymethylcephemcarboxylic acid;7-ACA;7-ACS;7-Amino-3-acetoxymethyl-3-cephem-4-carboxylic acid;7β-Aminocephalosporanic acid;3-Acetoxymethyl-7-aminoceph-3-em-4-carboxylic acid;7-Amino-3-acetoxymethyl-Δ3-cephem-4-carboxylic acid;(7R)-7-Aminocephalosporanic acid;3-(Acetoxymethyl)-7-aminocephem-4-carboxylic acid;13256-42-3;23241-25-0;26328-10-9;70035-93-7;856652-38-5;856652-39-6
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CAS No:
Description
7-Aminocephalosporanic acid is the core chemical structure for the synthesis of cephalosporin antibiotics, is a potent β-lactamase inhibitor.
7beta-aminocephalosporanic acid is the alpha,beta-unsaturated monocarboxylic acid that is the active nucleus for the synthesis of cephalosporins and intermediates. It derives from a cephalosporanic acid. It is a tautomer of a 7beta-aminocephalosporanic acid zwitterion.
7-Aminocephalosporanic acid Basic Attributes
272.27800
272.28
213-485-0
9XI67897RG
DTXSID9045342
2934996000
Characteristics
135.23000
-4
Off-white to beige crystalline powder
1.6±0.1 g/cm3
>300 °C(lit.)
292.9±30.1 °C
1.661
409.6mg/L(22.99 ºC)
2-8°C
Safety Information
NONH for all modes of transport
3
R42/43; R36/37/38; R20/21/22
S22; S36/37; S24/25; S36; S26
Xn; Xi
Hygroscopic
P261-P280-P342 + P311
H317-H334
|Danger|H317 (98.61%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P264, P271, P272, P280, P285, P302+P352, P304+P340, P304+P341, P305+P351+P338, P312, P321, P333+P313, P337+P313, P342+P311, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 73 companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
7-Aminocephalosporanic acid Use and Manufacturing
1. It is the starting material for semi-synthetic cephalosporins. Obtained by mild acid hydrolysis of cephalosporin C.
2. Antibacterial;Bacterial transpeptidase inhibitor
Computed Properties
Molecular Weight:272.28
XLogP3:-4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:272.04669266
Monoisotopic Mass:272.04669266
Topological Polar Surface Area:135
Heavy Atom Count:18
Complexity:461
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Price Analysis
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