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Cefoselis sulfate 100mg

CAT: 0628-A10189-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0628-A10189-100Size:100 mg
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CAS Number
122841-12-7

Chemical Information

Cefoselis Sulfate

Cefoselis sulfate is an azaheterocycle sulfate salt. It is functionally related to a member of cefoselis.

CAS Number122841-12-7
PubChem CID9830519
IUPAC Name(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[[2-(2-hydroxyethyl)-3-iminopyrazol-1-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;sulfuric acid
Molecular FormulaC19H24N8O10S3
Molecular Weight620.6
Topological Polar Surface Area334
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count17
Rotatable Bond Count9
Heavy Atom Count40
Formal Charge0
Complexity1100
SMILES
CO/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)CN4C=CC(=N)N4CCO)C(=O)O.OS(=O)(=O)O
InChI
InChI=1S/C19H22N8O6S2.H2O4S/c1-33-24-12(10-8-35-19(21)22-10)15(29)23-13-16(30)27-14(18(31)32)9(7-34-17(13)27)6-25-3-2-11(20)26(25)4-5-28;1-5(2,3)4/h2-3,8,13,17,20,28H,4-7H2,1H3,(H2,21,22)(H,23,29)(H,31,32);(H2,1,2,3,4)/b20-11?,24-12-;/t13-,17-;/m1./s1
InChIKey
LZOLCSVRFKCSEM-ZQCAECPKSA-N
Chemical Structure
2D Structure
2D structure of Cefoselis Sulfate
CAS: 122841-12-7
CID: 9830519
Formula: C19H24N8O10S3
MW: 620.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight620.6
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count17
Rotatable Bond Count9
Exact Mass620.07775251
Monoisotopic Mass620.07775251
Topological Polar Surface Area334 Ų
Heavy Atom Count40
Formal Charge0
Complexity1100
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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