ACLE CAS 113479-65-5
Identification
CAS Number
113479-65-5
Name
ACLE
Synonyms
(6R,7R)-7-Amino-3-(chloromethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-methoxyphenyl)methyl ester hydrochloride;
7-Amino-3 chloromethyl-3-cephem-4-carboxylic Acid p-Methoxybenzyl Ester Hydrochloride
Molecular Structure
SMILES
O=C2N1/C(=C(CS[C@@H]1[C@@H]2N)CCl)C(=O)OCc3ccc(OC)cc3.Cl
StdInChI
InChI=1S/C16H17ClN2O4S.ClH/c1-22-11-4-2-9(3-5-11)7-23-16(21)13-10(6-17)8-24-15-12(18)14(20)19(13)15;/h2-5,12,15H,6-8,18H2,1H3;1H/t12-,15-;/m1./s1
StdInChIKey
LYIIGHOYDRRHAJ-XRZFDKQNSA-N
Molecular Formula
C16H18Cl2N2O4S
Molecular Weight
405.3
Properties
Appearance
Light yellow to white powder
Flash Point
317.4 °C
Boiling Point
601.1 °C at 760 mmHg
Vapour Pressure
1E-14 mmHg at 25°C
Safety Data
Personal Protective Equipment
Eyeshields, Gloves
Specifications and Other Information of Our ACLE CAS 113479-65-5
Purity
95%min(HPLC)
Identification Method
HNMR, HPLC
Known Application
The key intermediate of the fourth-generation cephalosporin, the wildly used antibiotics.
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