Piperacillin, Tazobactam Drug Combination

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 49
Total Number of Articles : 106
PubChem 23695841
Molecular Formula

C33H38N9NaO12S2

SMILES

CCN1CCN(C(=O)C1=O)C(=O)N[C@H](C2=CC=CC=C2)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)[O-].C[C@@]1([C@@H](N2[C@H](S1(=O)=O)CC2=O)C(=O)O)CN3C=CN=N3.[Na+]

InChI

InChI=1S/C23H27N5O7S.C10H12N4O5S.Na/c1-4-26-10-11-27(19(32)18(26)31)22(35)25-13(12-8-6-5-7-9-12)16(29)24-14-17(30)28-15(21(33)34)23(2,3)36-20(14)28;1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19;/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34);2-3,7-8H,4-5H2,1H3,(H,16,17);/q;;+1/p-1/t13-,14-,15+,20-;7-,8+,10+;/m11./s1

synonyms
  • Zosyn
  • 157044-21-8
  • sodium;(2S,5R,6R)-6-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;(2S,3S,5R)-3-methyl-4,4,7-trioxo-3-(triazol-1-ylmethyl)-4lambda6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
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Properties
Property Value
MW 839.8 g/mol
HBD 3
HBA 15
Rotatable Bond Count 9
Exact Mass 839.19790431 g/mol
Monoisotopic Mass 839.19790431 g/mol
Heavy Atom Count 57
Isotope Atom Count 0
Atom Stereo Count 7
Covalent Unit Count 3
Complexity 1560
xlogp None
Topological Polar Surface Area 315