(Z)-2-(5-Amino-1,2,4-thiadiazol-3-yl)-2-(((1-(tert-butoxy)-2-methyl-1-oxopropan-2-yl)oxy)imino)acetic Acid - CAS 76028-96-1
Catalog: |
BB074226 |
Product Name: |
(Z)-2-(5-Amino-1,2,4-thiadiazol-3-yl)-2-(((1-(tert-butoxy)-2-methyl-1-oxopropan-2-yl)oxy)imino)acetic Acid |
CAS: |
76028-96-1 |
Synonyms: |
2-(5-Amino-1,2,4-thiadiazol-3-yl)-2-(((1-butoxy-1-oxopropan-2-yl)oxy)imino)acetic acid; (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(1-butoxy-1-oxopropan-2-yl)oxyiminoacetic acid; 1,2,4-Thiadiazole-3-acetic acid, 5-amino-a-[[2-(1,1-dimethylethoxy)-1,1-dimethyl-2-oxoethoxy]imino]-, (Z)-; 5-Amino-a-[[2-(1,1-dimethylethoxy)-1,1-dimethyl-2-oxoethoxy]imino]-1,2,4-thiadiazole-3-acetic acid |
IUPAC Name: | (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(1-butoxy-1-oxopropan-2-yl)oxyiminoacetic acid |
Description: | (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. |
Molecular Weight: | 330.36 |
Molecular Formula: | C12H18N4O5S |
Canonical SMILES: | CCCCOC(=O)C(C)ON=C(C1=NSC(=N1)N)C(=O)O |
InChI: | InChI=1S/C11H16N4O5S/c1-3-4-5-19-10(18)6(2)20-14-7(9(16)17)8-13-11(12)21-15-8/h6H,3-5H2,1-2H3,(H,16,17)(H2,12,13,15)/b14-7- |
InChI Key: | HBJZQUOXCNYJOA-AUWJEWJLSA-N |
Solubility: | DMSO (Slightly), Methanol (Slightly) |
Appearance: | White to Off-White Solid |
Storage: | -20°C |
References: | Maloney, Kevin M., et al. PCT Int. Appl., 33pp. (2017). |
GHS Hazard Statement: | H315 (33.33%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P313, P337+P317, P342+P316, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Danger |
Complexity: | 406 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 316.0841408 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 10 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 316.0841408 |
Rotatable Bond Count: | 9 |
Topological Polar Surface Area: | 165Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Other Building Blocks
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS