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Cefdinir Impurity B

CAT: 1596-AR-C01763-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C01763-02Size:25 Units
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CAS Number
934986-48-8
Synonyms
(6S,7R) -7- ((Z) -2- (2-aminothiazol-4-yl) -2- (hydroxyimino) acetamido) -8-oxo-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 5-oxide; Cefdinir Sulfoxide
Molecular Formula
C14H13N5O6S2
Molecular Weight
411.42
API Name
Cefdinir

Chemical Information

Cefdinir Sulfoxide
CAS Number934986-48-8
PubChem CID16119882
IUPAC Name(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-3-ethenyl-5,8-dioxo-5lambda4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular FormulaC14H13N5O6S2
Molecular Weight411.4
XLogP-0.4
Topological Polar Surface Area223
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity812
SMILES
C=CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\O)/C3=CSC(=N3)N)S(=O)C1)C(=O)O
InChI
InChI=1S/C14H13N5O6S2/c1-2-5-4-27(25)12-8(11(21)19(12)9(5)13(22)23)17-10(20)7(18-24)6-3-26-14(15)16-6/h2-3,8,12,24H,1,4H2,(H2,15,16)(H,17,20)(H,22,23)/b18-7-/t8-,12-,27?/m1/s1
InChIKey
DCYIMCVRWITTJO-VDXAKPFFSA-N
Chemical Structure
2D Structure
2D structure of Cefdinir Sulfoxide
CAS: 934986-48-8
CID: 16119882
Formula: C14H13N5O6S2
MW: 411.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight411.4
XLogP3-0.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Exact Mass411.03072550
Monoisotopic Mass411.03072550
Topological Polar Surface Area223 Ų
Heavy Atom Count27
Formal Charge0
Complexity812
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
RM-C061401-01Cefdinir Impurity A
RM-C061409-01Cefdinir Impurity I (Cefdinir Cp Impurity F)
RM-C061408-01Cefdinir Impurity H (Cefdinir Cp Impurity E)
RM-C061466-01Cefdinir Impurity 40
RM-C061405-01Cefdinir CP Impurity A
RM-C061464-01Cefdinir Impurity 38
RM-C061462-01Cefdinir Impurity 36
RM-C061456-01Cefdinir Impurity 30
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