Structure of ACLE CAS 113479-65-5

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

Structure of ACLE CAS 113479-65-5

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.

General View of Documents

ACLE CAS 113479-65-5 HNMR

ACLE CAS 113479-65-5 HNMR

Watson-Int Link

http://watson-int.com/ACLE_CAS_113479-65-5.html