Cas no 15949-72-1 (4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid,6-[[[1-(2,6-dichlorophenyl)-4-methyl-1H-pyrazol-5-yl]carbonyl]amino]-3,3-dimethyl-7-oxo-,(2S,5R,6R)-)

4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid,6-[[[1-(2,6-dichlorophenyl)-4-methyl-1H-pyrazol-5-yl]carbonyl]amino]-3,3-dimethyl-7-oxo-,(2S,5R,6R)- structure
15949-72-1 structure
Product Name:4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid,6-[[[1-(2,6-dichlorophenyl)-4-methyl-1H-pyrazol-5-yl]carbonyl]amino]-3,3-dimethyl-7-oxo-,(2S,5R,6R)-
CAS No:15949-72-1
MF:C19H18Cl2N4O4S
MW:469.341620922089
CID:153981
PubChem ID:65622
Update Time:2025-04-19

4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid,6-[[[1-(2,6-dichlorophenyl)-4-methyl-1H-pyrazol-5-yl]carbonyl]amino]-3,3-dimethyl-7-oxo-,(2S,5R,6R)- Chemical and Physical Properties

Names and Identifiers

    • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid,6-[[[1-(2,6-dichlorophenyl)-4-methyl-1H-pyrazol-5-yl]carbonyl]amino]-3,3-dimethyl-7-oxo-,(2S,5R,6R)-
    • (2S,5R,6R)-6-({[1-(2,6-Dichlorophenyl)-4-methyl-1H-pyrazol-5-yl]c arbonyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hepta ne-2-carboxylic acid
    • UNII-IRZ1462XXF
    • (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
    • Prazocilina
    • 6-(1-(2,6-Dichlorophenyl)-4-methylpyrazole-5-carboxamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
    • Pirazocillin
    • 1-(2,6-Dichlorphenyl)-4-methyl-5-pyrasolyl penicillin
    • IRZ1462XXF
    • Pyrazocillin
    • Prazocillin [INN]
    • Prazocillin
    • NS00126702
    • Pyrasocillin
    • Prazocilina [INN-Spanish]
    • Prazocillinum [INN-Latin]
    • Prazocillinum
    • 15949-72-1
    • Prazocilline [INN-French]
    • DTXSID101043139
    • Prazocilline
    • Q27280875
    • CHEMBL2106877
    • SCHEMBL2109924
    • Inchi： 1S/C19H18Cl2N4O4S/c1-8-7-22-25(13-9(20)5-4-6-10(13)21)12(8)15(26)23-11-16(27)24-14(18(28)29)19(2,3)30-17(11)24/h4-7,11,14,17H,1-3H3,(H,23,26)(H,28,29)/t11-,14+,17-/m1/s1
    • InChI Key： XRCKXULNIUSXFZ-HYSWKAIVSA-N
    • SMILES： ClC1C=CC=C(C=1N1C(=C(C)C=N1)C(N[C@@H]1C(N2[C@@H](C(=O)O)C(C)(C)S[C@@H]21)=O)=O)Cl

Computed Properties

  • Exact Mass: 468.0425816g/mol
  • Monoisotopic Mass: 468.0425816g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 4
  • Complexity: 746
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.2
  • Topological Polar Surface Area: 130?2

4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid,6-[[[1-(2,6-dichlorophenyl)-4-methyl-1H-pyrazol-5-yl]carbonyl]amino]-3,3-dimethyl-7-oxo-,(2S,5R,6R)- Related Literature

Related Categories

15949-72-1 (4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid,6-[[[1-(2,6-dichlorophenyl)-4-methyl-1H-pyrazol-5-yl]carbonyl]amino]-3,3-dimethyl-7-oxo-,(2S,5R,6R)-) Related Products

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