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Methoxyimino Cefotaxime

CAT: 0572-TRC-M375380-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M375380-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
75679-12-8
Synonyms
Cefotaxime Impurity 2; (R)-2-((Z)-2-(2-Aminothiazol-4-yl)-2-(methoxyimino)acetamido)-2-((R)-7-oxo-1,2,5,7-tetrahydro-4H-furo[3,4-d][1,3]thiazin-2-yl)acetic Acid
Hazard Statement
No Data Available
Smiles
O=C(OC1)C2=C1CS[C@@]([C@@H](C(O)=O)NC(/C(C3=CSC(N)=N3)=N\OC)=O)([H])N2
Molecular Formula
C14H15N5O6S2
Molecular Weight
413.42
InChI
InChI=1S/C14H15N5O6S2/c1-24-19-8(6-4-27-14(15)16-6)10(20)17-9(12(21)22)11-18-7-5(3-26-11)2-25-13(7)23/h4,9,11,18H,2-3H2,1H3,(H2,15,16)(H,17,20)(H,21,22)/b19-8-/t9-,11+/m0/s1
Additionnal Information
IUPAC name: (R)-2-((Z)-2-(2-aminothiazol-4-yl)-2-(methoxyimino)acetamido)-2-((R)-7-oxo-1,2,5,7-tetrahydro-4H-furo[3,4-d][1,3]thiazin-2-yl)acetic acid
Shipping Conditions
Room Temperature

Chemical Information

Cefotaxime Impurity 18
CAS Number75679-12-8
PubChem CID14673053
IUPAC Name(2R)-2-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-[(2R)-7-oxo-1,2,4,5-tetrahydrofuro[3,4-d][1,3]thiazin-2-yl]acetic acid
Molecular FormulaC14H15N5O6S2
Molecular Weight413.4
XLogP0.4
Topological Polar Surface Area219
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity714
SMILES
CO/N=C(/C1=CSC(=N1)N)\C(=O)N[C@@H]([C@@H]2NC3=C(COC3=O)CS2)C(=O)O
InChI
InChI=1S/C14H15N5O6S2/c1-24-19-8(6-4-27-14(15)16-6)10(20)17-9(12(21)22)11-18-7-5(3-26-11)2-25-13(7)23/h4,9,11,18H,2-3H2,1H3,(H2,15,16)(H,17,20)(H,21,22)/b19-8-/t9-,11+/m0/s1
InChIKey
PHVYYFCTZOZQCX-KTFFUYHOSA-N
Chemical Structure
2D Structure
2D structure of Cefotaxime Impurity 18
CAS: 75679-12-8
CID: 14673053
Formula: C14H15N5O6S2
MW: 413.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight413.4
XLogP30.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count6
Exact Mass413.04637556
Monoisotopic Mass413.04637556
Topological Polar Surface Area219 Ų
Heavy Atom Count27
Formal Charge0
Complexity714
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

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