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Also known as: Ceftizoxime alapivoxil, 135821-54-4, Ceftizoxime alapivoxil [inn], 3mm3320ljn, As-924, Unii-3mm3320ljn
Molecular Formula
C22H28N6O8S2
Molecular Weight
568.6  g/mol
InChI Key
VOPANQNVVCPHQR-IVVGYLHBSA-N
FDA UNII
3MM3320LJN

CAS 135821-54-4
Ceftizoxime Alapivoxil is the alapivalate ester prodrug form of ceftizoxime, a semi-synthetic, broad-spectrum, beta-lactamase-resistant, third-generation cephalosporin with antibacterial activity. After oral administration of ceftizoxime alapivoxil, the ester bond is cleaved, releasing active ceftizoxime.
1 2D Structure

CAS 135821-54-4

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[[(2Z)-2-[2-[[(2S)-2-aminopropanoyl]amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
2.1.2 InChI
InChI=1S/C22H28N6O8S2/c1-10(23)15(29)26-21-24-11(8-38-21)13(27-34-5)16(30)25-14-17(31)28-12(6-7-37-18(14)28)19(32)35-9-36-20(33)22(2,3)4/h6,8,10,14,18H,7,9,23H2,1-5H3,(H,25,30)(H,24,26,29)/b27-13-/t10-,14+,18+/m0/s1
2.1.3 InChI Key
VOPANQNVVCPHQR-IVVGYLHBSA-N
2.1.4 Canonical SMILES
CC(C(=O)NC1=NC(=CS1)C(=NOC)C(=O)NC2C3N(C2=O)C(=CCS3)C(=O)OCOC(=O)C(C)(C)C)N
2.1.5 Isomeric SMILES
C[C@@H](C(=O)NC1=NC(=CS1)/C(=N/OC)/C(=O)N[C@H]2[C@@H]3N(C2=O)C(=CCS3)C(=O)OCOC(=O)C(C)(C)C)N
2.2 Other Identifiers
2.2.1 UNII
3MM3320LJN
2.3 Synonyms
2.3.1 MeSH Synonyms

1. (2-(2-alanylaminothiazol-4-yl)-2-methoxyiminoacetamido)-3-cephem-4-carboxylate

2. As 924

3. As-924

4. Ceftizoxime Alapivoxil

2.3.2 Depositor-Supplied Synonyms

1. Ceftizoxime Alapivoxil

2. 135821-54-4

3. Ceftizoxime Alapivoxil [inn]

4. 3mm3320ljn

5. As-924

6. Unii-3mm3320ljn

7. Chembl2106058

8. Zinc59660352

9. C21592

10. (2-(2-alanylaminothiazol-4-yl)-2-methoxyiminoacetamido)-3-cephem-4-carboxylate

11. (+)-(pivaloyloxy)methyl (6r,7r)-7-(2-(2-(l-alanylamino)thiazol-4-yl)glyoxylamido)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate 7(sup 2)-(z)-(o)-methyloxime)

12. (+)-(pivaloyloxy)methyl (6r,7r)-7-(2-(2-(l-alanylamino)thiazol-4-yl)glyoxylamido)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate 7,2-(z)-(o)-methyloxime)

13. (+)-(pivaloyloxy)methyl (6r,7r)-7-(2-(2-(l-alanylamino)thiazol-4-yl)glyoxylamido)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate 72-(z)-(o)-methyloxime)

14. (7r)-7-[2-[2-[[(2s)-2-aminopropionyl]amino]thiazole-4-yl]-2-(methoxyimino)acetylamino]cepham-3-ene-4-carboxylic Acid (pivaloyloxy)methyl Ester

2.4 Create Date
2006-10-24
3 Chemical and Physical Properties
Molecular Weight 568.6 g/mol
Molecular Formula C22H28N6O8S2
XLogP31.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count13
Rotatable Bond Count12
Exact Mass568.14100422 g/mol
Monoisotopic Mass568.14100422 g/mol
Topological Polar Surface Area245 Ų
Heavy Atom Count38
Formal Charge0
Complexity1050
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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Ceftizoxime Alapivoxil

CAS Number : 135821-54-4

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About the Company : Hubei Ling Sheng Pharmaceutical Co., Ltd. was established in December 29, 2010, the company is located in Xiangyang City, Hubei Province Xiangcheng Economic Development Zone, is a key i...

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