Basic information
- CAS
40966-79-8- Standard SMILES
COCOC(=O)[C@@H]1N2C(=O)[C@@H](N3C(=O)C(c4ccccc4)NC3(C)C)[C@H]2SC1(C)C- InChIKey
QTQPGZVDUCMVLK-KRWWSPQJSA-N- Molecular formula
- C21H27N3O5S
- Average molar mass
- 433.5 g/mol
- Monoisotopic mass
- 433.16714214
Overview
Bl-p1761 is a penicillin.
Names & identifiers
- Preferred name
- Sarpicillin
- IUPAC
- methoxymethyl (2S,5R,6R)-6-(2,2-dimethyl-5-oxo-4-phenylimidazolidin-1-yl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
- English name
- Sarpicillin
- Molecular formula
- C21H27N3O5S
- Molecular weight
- 433.52
Names & synonyms
Sarpicillin40966-79-8BL-P1761BL-P-1761Methoxymethyl (2S,5R,6R)-6-(2,2-dimethyl-5-oxo-4-phenyl-1-imidazolidinyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylatemethoxymethylhetacillinRefChem:1814626alpha-(Tetrahydro-2,2-dimethyl-5-oxo-4-phenyl-1H-imidazol-1-yl)penicillanic acid (methoxymethyl) ester(2S-(2 alpha,5 alpha,6 beta(S*)))-6-(2,2-dimethyl-5-oxo-4-phenyl-1-imidazolidinyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, methoxymethyl esterO70J1GE4YBSarpicillinemethoxymethyl (2S,5R,6R)-6-(2,2-dimethyl-5-oxo-4-phenylimidazolidin-1-yl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Show more names
6α-(Tetrahydro-2,2-dimethyl-5-oxo-4-phenyl-1H-imidazol-1-yl)penicillanic acid (methoxymethyl) ester4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-(2,2-dimethyl-5-oxo-4-phenyl-1-imidazolidinyl)-3,3-dimethyl-7-oxo-, methoxymethyl ester, (2S,5R,6R)-
SarpicillinaSarpicillinum(2S-(2alpha,5alpha,6beta(S*)))-6-(2,2-Dimethyl-5-oxo-4-phenyl-1-imidazolidinyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, methoxymethyl esterSarpicillin [USAN:INN]Sarpicilline [INN-French]Sarpicillinum [INN-Latin]Sarpicillina [INN-Spanish]Sarpicilina
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 736
Physicochemical properties
- Boiling point
- 619.8 · 619.8±55.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- 4.99 · 4.99±0.60(Predicted)
- FDA UNII
- 70 J1GE4YB · O70J1GE4YB
Chemistry & industry
Applications
UsesAntibacterial.
Suppliers1 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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