Basic information
- CAS
15949-72-1- Standard SMILES
Cc1cnn(-c2c(Cl)cccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O- InChIKey
XRCKXULNIUSXFZ-HYSWKAIVSA-N- Molecular formula
- C19H18Cl2N4O4S
- Average molar mass
- 469.3 g/mol
- Monoisotopic mass
- 468.0425816
Overview
Prazocillin is a small molecule drug. The usage of the INN stem '-cillin' in the name indicates that Prazocillin is a antibiotic, 6-aminopenicillanic acid derivative. Prazocillin has a monoisotopic molecular weight of 468.04 Da.
Names & identifiers
- Preferred name
- Prazocillin
- IUPAC
- (2S,5R,6R)-6-[[1-(2,6-dichlorophenyl)-4-methylpyrazole-5-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
- English name
- Prazocillin
- Molecular formula
- C19H18Cl2N4O4S
- Molecular weight
- 469.34
Names & synonyms
PrazocillinPyrazocillinPrazocillinePrazocilinaPrazocillinum15949-72-1IRZ1462XXFDTXSID101043139RefChem:175759DTXCID3015258721-(2,6-dichlorophenyl)-4-methyl-5-pyrazolylpenicillin6alpha-((1-(2,6-Dichlorophenyl)-4-methyl-1H-pyrazol-5-yl)carbonylamino)penicillanic acid
Show more names
6α-[[1-(2,6-Dichlorophenyl)-4-methyl-1H-pyrazol-5-yl]carbonylamino]penicillanic acid4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[[1-(2,6-dichlorophenyl)-4-methyl-1H-pyrazol-5-yl]carbonyl]amino]-3,3-dimethyl-7-oxo-, (2S,5R,6R)-
Prazocillin [INN]PirazocillinPyrasocillinUNII-IRZ1462XXFPrazocilina [INN-Spanish]Prazocilline [INN-French]Prazocillinum [INN-Latin](2S,5R,6R)-6-[[2-(2,6-dichlorophenyl)-4-methylpyrazole-3-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Database identifiers
- CAS
15949-72-1
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 746
Physicochemical properties
- Boiling point
- 743.5 · 743.5±60.0 °C(Predicted)
- Density
- 1.67 · 1.67±0.1 g/cm3(Predicted)
- pka
- 2.44 · 2.44±0.50(Predicted)
- FDA UNII
- 1462 XXF · IRZ1462XXF
Chemistry & industry
Suppliers1 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…