Cefoperazone Impurity 19

CAT: 1596-AR-C06664-06Size: 250 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-C06664-06Size:250 Units

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CAS Number

348088-68-6

Synonyms

(S) -2- (4-ethyl-2,3-dioxopiperazine-1-carboxamido) -2- (4-hydroxyphenyl) acetic acid

Molecular Formula

C15H17N3O6

Molecular Weight

335.32

API Name

Cefoperazone

Chemical Information

(2S)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetic acid

CAS Number	348088-68-6
PubChem CID	7282099
IUPAC Name	(2S)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetic acid
Molecular Formula	C15H17N3O6
Molecular Weight	335.31
XLogP	0.9
Topological Polar Surface Area	127
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	24
Formal Charge	0
Complexity	529

SMILES

CCN1CCN(C(=O)C1=O)C(=O)N[C@@H](C2=CC=C(C=C2)O)C(=O)O

InChI

InChI=1S/C15H17N3O6/c1-2-17-7-8-18(13(21)12(17)20)15(24)16-11(14(22)23)9-3-5-10(19)6-4-9/h3-6,11,19H,2,7-8H2,1H3,(H,16,24)(H,22,23)/t11-/m0/s1

InChIKey

IPARGUVYMOMVNU-NSHDSACASA-N

Chemical Structure

2D Structure

CAS: 348088-68-6

CID: 7282099

Formula: C15H17N3O6

MW: 335.31

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	335.31
XLogP3	0.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	335.11173527
Monoisotopic Mass	335.11173527
Topological Polar Surface Area	127 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	529
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes