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7S-Cefdinir

CAT: 0024-sc-504731Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-504731Size:10 mg
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CAS Number
178601-89-3

Chemical Information

7(S)-Cefdinir
CAS Number178601-89-3
PubChem CID87792518
IUPAC Name(6R,7S)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular FormulaC14H13N5O5S2
Molecular Weight395.4
XLogP0
Topological Polar Surface Area212
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity739
SMILES
C=CC1=C(N2[C@@H]([C@H](C2=O)NC(=O)/C(=N\O)/C3=CSC(=N3)N)SC1)C(=O)O
InChI
InChI=1S/C14H13N5O5S2/c1-2-5-3-25-12-8(11(21)19(12)9(5)13(22)23)17-10(20)7(18-24)6-4-26-14(15)16-6/h2,4,8,12,24H,1,3H2,(H2,15,16)(H,17,20)(H,22,23)/b18-7-/t8-,12+/m0/s1
InChIKey
RTXOFQZKPXMALH-JQISMDCNSA-N
Chemical Structure
2D Structure
2D structure of 7(S)-Cefdinir
CAS: 178601-89-3
CID: 87792518
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 Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass395.03581088
Monoisotopic Mass395.03581088
Topological Polar Surface Area212 Ų
Heavy Atom Count26
Formal Charge0
Complexity739
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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Alternative Products

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ABDCDR5ACefdinir

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