Basic information
- CAS
69414-41-1- Standard SMILES
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)c3ccc(-c4ccc(S(=O)(=O)N(CCO)CCO)cc4)[nH]c3=O)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O- InChIKey
NAALWFYYHHJEFQ-ZASNTINBSA-N- Molecular formula
- C32H35N5O11S2
- Average molar mass
- 729.8 g/mol
- Monoisotopic mass
- 729.1774493
Overview
Piridicillin is a small molecule drug. The usage of the INN stem '-cillin' in the name indicates that Piridicillin is a antibiotic, 6-aminopenicillanic acid derivative. Piridicillin has a monoisotopic molecular weight of 729.18 Da.
Names & identifiers
- Preferred name
- Piridicillin
- IUPAC
- (2S,5R,6R)-6-[[(2R)-2-[[6-[4-[bis(2-hydroxyethyl)sulfamoyl]phenyl]-2-oxo-1H-pyridine-3-carbonyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
- English name
- Piridicillin
- Molecular formula
- C32H35N5O11S2
- Molecular weight
- 729.78
Names & synonyms
PIRIDICILLINPiridicillin [INN]69414-41-1piridicilinapiridicillineUNII-6502ONO3L06502ONO3L0DTXSID20219571(2S,5R,6R)-6-(((2R)-2-(((6-(4-((BIS(2-HYDROXYETHYL)AMINO)SULFONYL)PHENYL)-2-OXO-1,2-DIHYDROPYRIDIN-3-YL)CARBONYL)AMINO)-2-(4-HYDROXYPHENYL)ACETYL)AMINO)-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID(2S,5R,6R)-6-((R)-2-(6-(P-(BIS(2-HYDROXYETHYL)SULFAMOYL)PHENYL)-1,2-DIHYDRO-2-OXONICOTINAMIDO)-2-(P-HYDROXYPHENYL)ACETAMIDO)-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYIC ACID6alpha-[[(R)-2-[[6-[4-[Bis(2-hydroxyethyl)sulfamoyl]phenyl]-1,2-dihydro-2-oxopyridin-3-yl]carbonylamino]-2-(4-hydroxyphenyl)acetyl]amino]penicillanic acidpiridicillinum
Show more names
Unii-1Q728mh9p96α-[[(R)-2-[[6-[4-[Bis(2-hydroxyethyl)sulfamoyl]phenyl]-1,2-dihydro-2-oxopyridin-3-yl]carbonylamino]-2-(4-hydroxyphenyl)acetyl]amino]penicillanic acid
6alpha-(((R)-2-((6-(4-(Bis(2-hydroxyethyl)sulfamoyl)phenyl)-1,2-dihydro-2-oxopyridin-3-yl)carbonylamino)-2-(4-hydroxyphenyl)acetyl)amino)penicillanic acidRefChem:174530DTXCID70142062(2S,5R,6R)-6-[[(2R)-2-[[6-[4-[bis(2-hydroxyethyl)sulfamoyl]phenyl]-2-oxo-1H-pyridine-3-carbonyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acidSCHEMBL788299CHEMBL2110877Q27263799(2S,5R,6R)-6-{[(2R)-2-(6-{4-[Bis(2-hydroxyethyl)sulfamoyl]phenyl}-2-oxo-1,2-dihydropyridine-3-carboxamido)-2-(4-hydroxyphenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 277 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 13
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,520
Physicochemical properties
- Density
- 1.633 · 1.633±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 2.443 · 2.443±0.50(predicted)
- FDA UNII
- 6502 ONO3L0 · 6502ONO3L0
Chemistry & industry
Applications
UsesAntibacterial.
Suppliers1 total
Lanospharma Laboratories Co.,Ltd13440048448 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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