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Ceftriaxone EP Impurity B (Cefotaxime EP Impurity E)

CAT: 1596-AR-C02165-01Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C02165-01Size:25 Units
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CAS Number
66340-33-8
Synonyms
(Z) -2- (2-aminothiazol-4-yl) -N- ((5aR,6R) -1,7-dioxo-1,3,4,5a,6,7-hexahydroazeto[2,1-b]furo[3,4-d][1,3]thiazin-6-yl) -2- (methoxyimino) acetamide; Cefotaxime Sodium EP Impurity E;3-Desacetyl Cefotaxime Lactone (E/Z Mixture)
Molecular Formula
C14H13N5O5S2
Molecular Weight
395.41
API Name
Ceftriaxone

Chemical Information

Deacetylcefotaxime lactone
CAS Number66340-33-8
PubChem CID13080558
IUPAC Name(2Z)-2-(2-amino-1,3-thiazol-4-yl)-N-[(4R,5R)-3,11-dioxo-10-oxa-6-thia-2-azatricyclo[6.3.0.02,5]undec-1(8)-en-4-yl]-2-methoxyiminoacetamide
Molecular FormulaC14H13N5O5S2
Molecular Weight395.4
XLogP0
Topological Polar Surface Area190
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity741
SMILES
CO/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C4=C(COC4=O)CS3
InChI
InChI=1S/C14H13N5O5S2/c1-23-18-7(6-4-26-14(15)16-6)10(20)17-8-11(21)19-9-5(2-24-13(9)22)3-25-12(8)19/h4,8,12H,2-3H2,1H3,(H2,15,16)(H,17,20)/b18-7-/t8-,12-/m1/s1
InChIKey
MCSWUKXFFGUOQE-GHXIOONMSA-N
Chemical Structure
2D Structure
2D structure of Deacetylcefotaxime lactone
CAS: 66340-33-8
CID: 13080558
Formula: C14H13N5O5S2
MW: 395.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight395.4
XLogP30
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Exact Mass395.03581088
Monoisotopic Mass395.03581088
Topological Polar Surface Area190 Ų
Heavy Atom Count26
Formal Charge0
Complexity741
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

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CatalogName
RM-C202405-01Cefotaxime EP Impurity E; Ceftriaxone EP Impurity B
RM-C062437-01Ceftriaxone Impurity 11
RM-C062442-01Ceftriaxone Impurity 16
RM-C062439-01Ceftriaxone Impurity 13
RM-C062428-01Ceftriaxone Impurity 2
RM-C062433-01Ceftriaxone Impurity 7
RM-C062429-01Ceftriaxone Impurity 3
RM-C062452-01Ceftriaxone Impurity 52
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