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2-Formyl-cefpodoxime proxetil

CAT: 0926-WDA68030-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-WDA68030-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
96680-30-7
Smiles
CC (C) OC (=O) OC (C) OC (=O) C1=C (CSC2N1C (=O) C2NC (=O) C (=NOC) C3=CSC (=N3) NC=O) COC
Molecular Formula
C22H27N5O10S2
Molecular Weight
585.6 g/mol
Controlled
No

Chemical Information

N-Formyl cefpodoxime proxetil
CAS Number96680-30-7
PubChem CID13421809
IUPAC Name1-propan-2-yloxycarbonyloxyethyl (6R,7R)-7-[[(2Z)-2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Molecular FormulaC22H27N5O10S2
Molecular Weight585.6
XLogP0.4
Topological Polar Surface Area238
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count14
Rotatable Bond Count14
Heavy Atom Count39
Formal Charge0
Complexity1040
SMILES
CC(C)OC(=O)OC(C)OC(=O)C1=C(CS[C@H]2N1C(=O)[C@H]2NC(=O)/C(=N\OC)/C3=CSC(=N3)NC=O)COC
InChI
InChI=1S/C22H27N5O10S2/c1-10(2)35-22(32)37-11(3)36-20(31)16-12(6-33-4)7-38-19-15(18(30)27(16)19)25-17(29)14(26-34-5)13-8-39-21(24-13)23-9-28/h8-11,15,19H,6-7H2,1-5H3,(H,25,29)(H,23,24,28)/b26-14-/t11?,15-,19-/m1/s1
InChIKey
KBBPBOYVHDSXFI-KMMUMHRISA-N
Chemical Structure
2D Structure
2D structure of N-Formyl cefpodoxime proxetil
CAS: 96680-30-7
CID: 13421809
Formula: C22H27N5O10S2
MW: 585.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight585.6
XLogP30.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count14
Rotatable Bond Count14
Exact Mass585.11993442
Monoisotopic Mass585.11993442
Topological Polar Surface Area238 Ų
Heavy Atom Count39
Formal Charge0
Complexity1040
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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