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://​wat​son​-int​.com/​A​C​L​E​_​C​A​S​_​1​1​3​4​7​9​-​6​5​-​5​.​h​tml