7-Aminocephalosporanic acid is the core chemical structure of the synthesis of cephalosporin antibiotics and an effective β-lactamase inhibitor.

Physicochemical Properties

Molecular Formula	C10H12N2O5S
Molecular Weight	272.27
Exact Mass	272.046
CAS #	957-68-6
Related CAS #	957-68-6
PubChem CID	441328
Appearance	White to off-white solid powder
Density	1.6±0.1 g/cm3
Boiling Point	560.6±50.0 °C at 760 mmHg
Melting Point	>300 °C(lit.)
Flash Point	292.9±30.1 °C
Vapour Pressure	0.0±3.3 mmHg at 25°C
Index of Refraction	1.661
LogP	-0.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Heavy Atom Count	18
Complexity	461
Defined Atom Stereocenter Count	2
SMILES	CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)N)SC1)C(=O)O
InChi Key	HSHGZXNAXBPPDL-HZGVNTEJSA-N
InChi Code	InChI=1S/C10H12N2O5S/c1-4(13)17-2-5-3-18-9-6(11)8(14)12(9)7(5)10(15)16/h6,9H,2-3,11H2,1H3,(H,15,16)/t6-,9-/m1/s1 SMILES
Chemical Name	(6R,7R)-3-(Acetyloxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Synonyms	7-ACS 7 ACS 7ACS 7-Aminocephalosporinic acid 7 Aminocephalosporinic acid 7Aminocephalosporinic acid
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

References	: Endoh T, Yagihashi A, Sasaki M, Watanabe N. Ceftizoxime-induced hemolysis due to immune complexes: case report and determination of the epitope responsible for immune complex-mediated hemolysis. Transfusion. 1999 Mar;39(3):306-9. PubMed PMID: 10204595.
Additional Infomation	7beta-aminocephalosporanic acid is the alpha,beta-unsaturated monocarboxylic acid that is the active nucleus for the synthesis of cephalosporins and intermediates. It is functionally related to a cephalosporanic acid. It is a tautomer of a 7beta-aminocephalosporanic acid zwitterion. 7-Aminocephalosporanic acid has been reported in Apis cerana with data available.

Solubility Data

Solubility (In Vitro)	Ethanol : ~1.1 mg/mL (~4.04 mM) H2O : ~1.1 mg/mL (~4.04 mM) DMF :< 1 mg/mL DMSO :< 1 mg/mL
Solubility (In Vivo)	Solubility in Formulation 1: 1 mg/mL (3.67 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with sonication (<60°C).  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	3.6728 mL	18.3641 mL	36.7282 mL
	5 mM	0.7346 mL	3.6728 mL	7.3456 mL
	10 mM	0.3673 mL	1.8364 mL	3.6728 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.