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Cefoperazone Impurity 8

CAT: 1596-AR-C01900-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C01900-01Size:10 Units
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CAS Number
1204325-21-2
Synonyms
(R) - ((2- (4-ethyl-2,3-dioxopiperazine-1-carboxamido) -2- (4-hydroxyphenyl) acetamido) methyl) boronic acid
Molecular Formula
C16H21BN4O7
Molecular Weight
392.18
API Name
Cefoperazone

Chemical Information

Cefoperazone Batsi
CAS Number1204325-21-2
PubChem CID53326623
IUPAC Name[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]methylboronic acid
Molecular FormulaC16H21BN4O7
Molecular Weight392.2
Topological Polar Surface Area160
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity610
SMILES
B(CNC(=O)[C@@H](C1=CC=C(C=C1)O)NC(=O)N2CCN(C(=O)C2=O)CC)(O)O
InChI
InChI=1S/C16H21BN4O7/c1-2-20-7-8-21(15(25)14(20)24)16(26)19-12(13(23)18-9-17(27)28)10-3-5-11(22)6-4-10/h3-6,12,22,27-28H,2,7-9H2,1H3,(H,18,23)(H,19,26)/t12-/m1/s1
InChIKey
XRLIDGHYXIREDT-GFCCVEGCSA-N
Chemical Structure
2D Structure
2D structure of Cefoperazone Batsi
CAS: 1204325-21-2
CID: 53326623
Formula: C16H21BN4O7
MW: 392.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight392.2
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass392.1503292
Monoisotopic Mass392.1503292
Topological Polar Surface Area160 Ų
Heavy Atom Count28
Formal Charge0
Complexity610
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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