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Piperacillin (Sodium) EP Impurity Impurity C

CAT: 1299-RM-P161803-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-P161803-01Size:10 mg
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CAS Number
2649505-15-5
Synonyms
(4S) -2- (((R) -2- (4-ethyl-2,3-dioxopiperazine-1-carboxamido) -2-phenylacetamido) methyl) -5,5-dimethylthiazolidine-4-carboxylic acid
Molecular Formula
C22H29N5O6S
Molecular Weight
491.57
Target Alternative Name
Piperacillin
Product Name Synonym
(4S) -2- (((R) -2- (4-ethyl-2,3-dioxopiperazine-1-carboxamido) -2-phenylacetamido) methyl) -5,5-dimethylthiazolidine-4-carboxylic acid

Chemical Information

(4S)-2-(((R)-2-(4-Ethyl-2,3-dioxopiperazine-1-carboxamido)-2-phenylacetamido)methyl)-5,5-dimethylthiazolidine-4-carboxylic acid
CAS Number2649505-15-5
PubChem CID163197602
IUPAC Name(4S)-2-[[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
Molecular FormulaC22H29N5O6S
Molecular Weight491.6
XLogP-0.9
Topological Polar Surface Area173
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity831
SMILES
CCN1CCN(C(=O)C1=O)C(=O)N[C@H](C2=CC=CC=C2)C(=O)NCC3N[C@H](C(S3)(C)C)C(=O)O
InChI
InChI=1S/C22H29N5O6S/c1-4-26-10-11-27(19(30)18(26)29)21(33)25-15(13-8-6-5-7-9-13)17(28)23-12-14-24-16(20(31)32)22(2,3)34-14/h5-9,14-16,24H,4,10-12H2,1-3H3,(H,23,28)(H,25,33)(H,31,32)/t14?,15-,16+/m1/s1
InChIKey
PERAIFYAYPAERV-JAIYHHTPSA-N
Chemical Structure
2D Structure
2D structure of (4S)-2-(((R)-2-(4-Ethyl-2,3-dioxopiperazine-1-carboxamido)-2-phenylacetamido)methyl)-5,5-dimethylthiazolidine-4-carboxylic acid
CAS: 2649505-15-5
CID: 163197602
Formula: C22H29N5O6S
MW: 491.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight491.6
XLogP3-0.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass491.18385484
Monoisotopic Mass491.18385484
Topological Polar Surface Area173 Ų
Heavy Atom Count34
Formal Charge0
Complexity831
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
AR-P31745-01Piperacillin Impurity 28 Sodium Salt
AR-P31747-01Piperacillin Impurity 30 Sodium Salt
AR-P31749-01Piperacillin Impurity 32 Sodium Salt
AR-P31750-01Piperacillin Impurity 33 Sodium Salt
AR-P02038-01Piperacillin Sodium EP Impurity G
AR-P31742-01Piperacillin Impurity 25 Sodium Salt
AR-P31743-01Piperacillin Impurity 26 Sodium Salt
AR-P31744-01Piperacillin Impurity 27 Sodium Salt
AR-P31748-01Piperacillin Impurity 31 Sodium Salt
AR-P31746-01Piperacillin Impurity 29 Sodium Salt

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