ChemicalBook--->CAS DataBase List--->76028-96-1

76028-96-1

76028-96-1 Structure

76028-96-1 Structure
IdentificationBack Directory
[Name]

1,2,4-Thiadiazole-3-acetic acid, 5-amino-a-[[2-(1,1-dimethylethoxy)-1,1-dimethyl-2-oxoethoxy]imino]-, (Z)-
[CAS]

76028-96-1
[Synonyms]

EOS-61787
(S)-2-Benzothiazolyl
2-(5-AMino-1,2,4-thiadiazol-3-yl)-2-(((1-butoxy-1-oxopropan-2-yl)oxy)iMino)acetic acid
(Z)-2-[[1-(tert-butoxycarbonyl)-1-Methylethoxy]iMino]-2-(5-AMino-[1,2,4]thiadiazol-3-yl)-acetic acid
(Z)-2-(5-aMino-1,2,4-thiadiazol-3-yl)-2-(1-tert-butoxy-2-Methyl-1-oxopropan-2-yloxyiMino)acetic acid
1,2,4-Thiadiazole-3-acetic acid, 5-amino-a-[[2-(1,1-dimethylethoxy)-1,1-dimethyl-2-oxoethoxy]imino]-, (Z)-
1,2,4-Thiadiazole-3-acetic acid, 5-amino-α-[[2-(1,1-dimethylethoxy)-1,1-dimethyl-2-oxoethoxy]imino]-, (αZ)-
1,2,4-Thiadiazole-3-acetic acid,5-amino-a-[[2-(1,1-dimethylethoxy)-1,1-dimethyl-2-oxoethoxy]imino]-,(Z)- (Related Reference)
[EINECS(EC#)]

616-285-5
[Molecular Formula]

C12H18N4O5S
[MDL Number]

MFCD28404788
[MOL File]

76028-96-1.mol
[Molecular Weight]

330.36
Chemical PropertiesBack Directory
[Boiling point ]

487.8±47.0 °C(Predicted)
[density ]

1.41±0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,2-8°C
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

2.13±0.41(Predicted)
[color ]

White to Off-White
[InChI]

InChI=1S/C12H18N4O5S/c1-11(2,3)20-9(19)12(4,5)21-15-6(8(17)18)7-14-10(13)22-16-7/h1-5H3,(H,17,18)(H2,13,14,16)/b15-6-
[InChIKey]

BWCJDZVONAOWHO-UUASQNMZSA-N
[SMILES]

S1C(N)=NC(/C(=N/OC(C)(C)C(OC(C)(C)C)=O)/C(O)=O)=N1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Health Hazard (GHS08)
GHS07,GHS08
[Signal word ]

Danger
[Hazard statements ]

H317-H334
[Precautionary statements ]

P304+P341-P342+P311-P302+P352-P333+P313-P321-P261-P272-P280-P261-P285-P363-P501
[REACH Registrations]

Active
Hazard InformationBack Directory
[Uses]

(Z)-2-(5-Amino-1,2,4-thiadiazol-3-yl)-2-(((1-(tert-butoxy)-2-methyl-1-oxopropan-2-yl)oxy)imino)acetic Acid may be useful in the preparation of solid forms of ceftolozane, their x-ray powder diffraction, and use in pharmaceutical compositions.
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