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Tebipenem pivoxil

CAT: 0926-LGA71524-01Size: 0.5 gDry Ice: NoHazardous: No
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CAT#:0926-LGA71524-01Size:0.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
161715-24-8
MDL Number
MFCD17215369
Smiles
CC1[C@H]2C (C (=O) N2C (=C1SC3CN (C3) C4=NCCS4) C (=O) OCOC (=O) C (C) (C) C) C (C) O
Molecular Formula
C22H31N3O6S2
Molecular Weight
497.63 g/mol
Controlled
No

Chemical Information

Tebipenem Pivoxil

Tebipenem pivoxil is a pivaloyloxymethyl ester and a member of carbapenems.

CAS Number161715-24-8
PubChem CID9892071
IUPAC Name2,2-dimethylpropanoyloxymethyl (4R,5S,6S)-3-[1-(4,5-dihydro-1,3-thiazol-2-yl)azetidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
Molecular FormulaC22H31N3O6S2
Molecular Weight497.6
XLogP2.3
Topological Polar Surface Area159
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Heavy Atom Count33
Formal Charge0
Complexity908
SMILES
C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1SC3CN(C3)C4=NCCS4)C(=O)OCOC(=O)C(C)(C)C)[C@@H](C)O
InChI
InChI=1S/C22H31N3O6S2/c1-11-15-14(12(2)26)18(27)25(15)16(19(28)30-10-31-20(29)22(3,4)5)17(11)33-13-8-24(9-13)21-23-6-7-32-21/h11-15,26H,6-10H2,1-5H3/t11-,12-,14-,15-/m1/s1
InChIKey
SNUDIPVBUUXCDG-QHSBEEBCSA-N
Chemical Structure
2D Structure
2D structure of Tebipenem Pivoxil
CAS: 161715-24-8
CID: 9892071
Formula: C22H31N3O6S2
MW: 497.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight497.6
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Exact Mass497.16542806
Monoisotopic Mass497.16542806
Topological Polar Surface Area159 Ų
Heavy Atom Count33
Formal Charge0
Complexity908
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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