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Piperacillin methyl ester

CAT: 0926-QCA70041-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0926-QCA70041-01Size:250 mg
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CAS Number
65700-41-6
Smiles
CCN1CCN (C (=O) C1=O) C (=O) NC (C2=CC=CC=C2) C (=O) NC3C4N (C3=O) C (C (S4) (C) C) C (=O) OC
Molecular Formula
C24H29N5O7S
Molecular Weight
531.6 g/mol
Controlled
No

Chemical Information

Piperacillin methyl ester
CAS Number65700-41-6
PubChem CID155923168
IUPAC Namemethyl (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
Molecular FormulaC24H29N5O7S
Molecular Weight531.6
XLogP0.8
Topological Polar Surface Area171
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count37
Formal Charge0
Complexity998
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)OC
InChI
InChI=1S/C24H29N5O7S/c1-5-27-11-12-28(20(33)19(27)32)23(35)26-14(13-9-7-6-8-10-13)17(30)25-15-18(31)29-16(22(34)36-4)24(2,3)37-21(15)29/h6-10,14-16,21H,5,11-12H2,1-4H3,(H,25,30)(H,26,35)/t14-,15-,16+,21-/m1/s1
InChIKey
FMTASCUGZCLLOG-YUWJWYLASA-N
Chemical Structure
2D Structure
2D structure of Piperacillin methyl ester
CAS: 65700-41-6
CID: 155923168
Formula: C24H29N5O7S
MW: 531.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight531.6
XLogP30.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass531.17876945
Monoisotopic Mass531.17876945
Topological Polar Surface Area171 Ų
Heavy Atom Count37
Formal Charge0
Complexity998
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

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Alternative Products

CatalogName
TRC-P480065-50MGPiperacillin Methyl Ester
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TRC-P480010-5MGPiperacillin Ethyl Ester
RM-P180352-01Piperacillin Impurity 52; Piperacillin dimer ethyl ester (USP)
RM-P180321-01Piperacillin Impurity 21; Piperacillin methyl penicilloate (USP)
sc-483471Methyl Acrylamidoglycolate Methyl Ester
RM-S132240-01Simvastatin Hydroxy Acid Methyl Ester; Tenivastatin Methyl Ester
M3519-10Methyl ß-Neuraminic Acid, Methyl Ester (Neuraminic Acid, ß-Methylglycoside, Methyl Ester)
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