Penicilloic acid

CAT: 1596-AR-P29845-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-P29845-01Size:10 Units

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CAS Number

64527-07-7

Synonyms

(2R,4S) -2- ((R) -Carboxy (formamido) methyl) -5,5-dimethylthiazolidine-4-carboxylic acid

Molecular Formula

C9H14N2O5S

Molecular Weight

262.3

API Name

Penicillin

Chemical Information

Penicilloic acid

metabolites of penicillins obtained by alkaline cleavage; RN given refers to cpd with unknown MF; structure

CAS Number	64527-07-7
PubChem CID	52921568
IUPAC Name	(2R,4S)-2-[(R)-carboxy(formamido)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
Molecular Formula	C9H14N2O5S
Molecular Weight	262.29
XLogP	-2.7
Topological Polar Surface Area	141
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Heavy Atom Count	17
Formal Charge	0
Complexity	346

SMILES

CC1([C@@H](N[C@H](S1)[C@@H](C(=O)O)NC=O)C(=O)O)C

InChI

InChI=1S/C9H14N2O5S/c1-9(2)5(8(15)16)11-6(17-9)4(7(13)14)10-3-12/h3-6,11H,1-2H3,(H,10,12)(H,13,14)(H,15,16)/t4-,5-,6+/m0/s1

InChIKey

OPEGYZAATHKDEM-HCWXCVPCSA-N

Chemical Structure

2D Structure

CAS: 64527-07-7

CID: 52921568

Formula: C9H14N2O5S

MW: 262.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	262.29
XLogP3	-2.7
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	262.06234272
Monoisotopic Mass	262.06234272
Topological Polar Surface Area	141 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	346
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-P29449-01	Penicilloic V Acid
AR-P29830-01	Acetylated Penicilloic Acids of Piperacillin (Min Purity >90%)
AR-P30636-01	Penicillic Acid
AR-P29844-01	Penicillenic Acid
AR-P30639-01	Penicillenic Acid Disulfide
AR-N01055-01	Nafcillin Penilloic Acid (Mixture of Diastereomers)
AR-P03267-01	Pyrazinoic Acid (Pyrazinecarboxylic Acid)
AR-H01202-01	Hydroquinonesulfonic Acid (Dobesilic Acid)
AR-S01987-01	Sulbactam Impurity 2 Sodium Salt (Penicillanic Acid Sodium Salt)
AR-A05406-01	Acetic Acid Isobutyric Acid Anhydride

Catalog	Name
FP26795-01	Penicilloic V acid
sc-480414	Amoxicillin dimer (penicilloic acid form)
TRC-P223515-250MG	Penicilloic V Acid (>80%, xH2O)
RM-P180347-01	Piperacillin Impurity 47; Piperacillin penicilloic acid; Piperacillin penicilloic acid, isomer 2 (USP)
RM-B052522-01	N-Acetyl Penicillin V Penicilloic Acid
TRC-E273430-5MG	N-2-Ethylhexanoyl Cloxacillin Penicilloic Acid
RM-P180309-01	Piperacillin Impurity 9 ; Acetylated penicilloic acid of piperacillinc (USP)
RM-P180379-01	Piperacillin Impurity 79; Piperacillin penicilloic acid, isomer 1 (USP)
TRC-A634520-10MG	Amoxicillin Dimer tri-Sodium Salt (penicilloic acid form)(Mixture of Diastereomers)
441457-01	Amoxicillin Dimer tri-Sodium Salt (penicilloic acid form) (Mixture of Diastereomers)