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Piperacillin

CAT: 1410-M22195-04Size: 1 gDry Ice: NoHazardous: No
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Description
Piperacillin is a semisynthetic penicillin with wide spectrum of antimicrobial activity (particularly pseudomonas strains.
CAS Number
61477-96-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
517.56
Molecular Formula
C23H27N5O7S
Notes
Research use only, not for human use.
Receptor
Bacterial

Chemical Information

Piperacillin

Piperacillin is a penicillin in which the substituent at position 6 of the penam ring is a 2-[(4-ethyl-2,3-dioxopiperazin-1-yl)carboxamido]-2-phenylacetamido group. It has a role as an antibacterial drug. It is a penicillin and a penicillin allergen. It is a conjugate acid of a piperacillin(1-).

CAS Number61477-96-1
PubChem CID43672
IUPAC Name(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-carboxylic acid
Molecular FormulaC23H27N5O7S
Molecular Weight517.6
XLogP0.5
Topological Polar Surface Area182
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count36
Formal Charge0
Complexity982
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
InChI
InChI=1S/C23H27N5O7S/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/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34)/t13-,14-,15+,20-/m1/s1
InChIKey
IVBHGBMCVLDMKU-GXNBUGAJSA-N
Chemical Structure
2D Structure
2D structure of Piperacillin
CAS: 61477-96-1
CID: 43672
Formula: C23H27N5O7S
MW: 517.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight517.6
XLogP30.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass517.16311939
Monoisotopic Mass517.16311939
Topological Polar Surface Area182 Ų
Heavy Atom Count36
Formal Charge0
Complexity982
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
C39SD1145Piperacillin

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