Basic information
- CAS
135821-54-4- Standard SMILES
CON=C(C(=O)N[C@@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=CCS[C@H]12)c1csc(NC(=O)[C@H](C)N)n1- InChIKey
VOPANQNVVCPHQR-DGVXXNCNSA-N- Molecular formula
- C22H28N6O8S2
- Average molar mass
- 568.6 g/mol
- Monoisotopic mass
- 568.14100422
Names & identifiers
- Preferred name
- 2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[[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
- IUPAC
- 2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[[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
- English name
- Ceftizoxime alapivoxil
- Molecular formula
- C22H28N6O8S2
- Molecular weight
- 568.63
Names & synonyms
DTXSID401350901NS00126061Ceftizoxime alapivoxilCeftizoxime alapivoxil USP/EP/BPCeftizoxime Alapivoxil Hydrochloride(Pivaloyloxy)methyl 7-((Z)-2-(2-((S)-2-aminopropanamido)thiazol-4-yl)-2-(methoxyimino)acetamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate7-[[2-[2-[(2-amino-1-oxopropyl)amino]-4-thiazolyl]-2-methoxyimino-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (2,2-dimethyl-1-oxopropoxy)methyl ester7-[[(2z)-[2-[[(2s)-2-amino-1-oxopropyl]amino]-4-thiazolyl](methoxyimino)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (2,2-dimethyl-1-oxopropoxy)methyl ester5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2Z)-2-[2-[[(2S)-2-amino-1-oxopropyl]amino]-4-thiazolyl]-2-(methoxyimino)acetyl]amino]-8-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester, (6R,7R)-
Database identifiers
- CAS
135821-54-4
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 245 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 12
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 1,050
Physicochemical properties
- Density
- 1.56 · 1.56
- pka
- 6.594 · 6.594±0.50(predicted)
- FDA UNII
- 3 MM3320LJN · 3MM3320LJN
Chemistry & industry
Applications
UsesCeftizoxime Alapivoxil can be used as reagent/reactant for industrial manufacture and synthetic preparation of Fmoc-L-alanine cefetamet pivoxil as pharmaceutical intermediate. It can also be used for biological study for its influence on intestinal bacterial flora in gnotobiotic mice inoculated with 4 bacterial strains. Ceftizoxime Alapivoxil can be obtained from N-tert-Boc-L-alanine (B600400) which is the protected form of L-Alanine (A481500), a non-essential amino acid that can be found naturally in the human body and is obtained by our diet.
Suppliers18 total
湖北海克斯生化有限公司17362916295; 17362916295 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466205 15377579727 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
湖北辰心化工有限公司17362916295 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
南京罗迈美生物科技有限公司
Related reactions
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Compound notes
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