Basic information
- CAS
1380688-27-6- Standard SMILES
C[C@@H](O)[C@@H](C(=O)O)[C@@H]1NC(C(=O)OCOC(=O)C(C)(C)C)=C(SC2CN(C3=NCCS3)C2)[C@@H]1C- InChIKey
XRCZSPQKQSSDGX-QHSBEEBCSA-N- Molecular formula
- C22H33N3O7S2
- Average molar mass
- 515.6 g/mol
- Monoisotopic mass
- 515.17599275
Names & identifiers
- Preferred name
- 4,7-seco-Tebipenemoic Acid Pivoxil
- IUPAC
- (2S,3R)-2-[(2S,3R)-4-[1-(4,5-dihydro-1,3-thiazol-2-yl)azetidin-3-yl]sulfanyl-5-(2,2-dimethylpropanoyloxymethoxycarbonyl)-3-methyl-2,3-dihydro-1H-pyrrol-2-yl]-3-hydroxybutanoic acid
- English name
- XRCZSPQKQSSDGX-QHSBEEBCSA-N
- Molecular formula
- C22H33N3O7S2
- Molecular weight
- 515.64
Names & synonyms
4,7-seco-Tebipenemoic Acid Pivoxil1380688-27-6Tebipenem pivoxil Impurity P2Tebipenemoic Acid Pivoxil Impurity 11(2S,3R)-2-((2S,3R)-4-((1-(4,5-dihydrothiazol-2-yl)azetidin-3-yl)thio)-3-methyl-5-(((pivaloyloxy)methoxy)carbonyl)-2,3-dihydro-1H-pyrrol-2-yl)-3-hydroxybutanoic acidXRCZSPQKQSSDGX-QHSBEEBCSA-NTibipenem ester ring-opener P2Tebipenem Pivoxil Impurity 4 (P2)(2S,3R)-2-[(2S,3R)-4-[1-(4,5-dihydro-1,3-thiazol-2-yl)azetidin-3-yl]sulfanyl-5-(2,2-dimethylpropanoyloxymethoxycarbonyl)-3-methyl-2,3-dihydro-1H-pyrrol-2-yl]-3-hydroxybutanoic acid1H-Pyrrole-2-acetic acid, 4-[[1-(4,5-dihydro-2-thiazolyl)-3-azetidinyl]thio]-5-[[(2,2-dimethyl-1-oxopropoxy)methoxy]carbonyl]-2,3-dihydro-α-[(1R)-1-hydroxyethyl]-3-methyl-, (αS,2S,3R)-
Database identifiers
- CAS
1380688-27-6- PubChem CID
- 71483908
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 188 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 12
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 880
Physicochemical properties
- Boiling point
- 692.1 · 692.1±65.0 °C(Predicted)
- Density
- 1.47 · 1.47±0.1 g/cm3(Predicted)
- solubility
- DMSO (Slightly), Methanol (Slightly, Sonicated)
- form
- Solid
- pka
- 3.43 · 3.43±0.10(Predicted)
- color
- Off-White to Light Beige
- Stability
- Hygroscopic
Chemistry & industry
Applications
Uses4,7-seco-Tebipenemoic Acid Pivoxil is an impurity of Tebipenem Pivoxil (T012900).
Suppliers7 total
广州蓝宁生物科技有限公司15813355568 · [email protected]
广州珑莹生物科技有限公司15975567350
深圳菲斯生物科技有限公司0755-83725350 13380397412 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
深圳市祥根生物医药有限公司0755-28967200 13631290199 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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