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Panipenem

CAT: 0013-GTR19202110-04Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19202110-04Size:50 mg
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Description
Panipenem
CAS Number
87726-17-8
Field of Research
Pharmacology & Drug Discovery
Smiles
[C@H] (C) (O) [C@@]1 ([C@@]2 (N (C (C (O) =O) =C (S[C@@H]3CN (C (C) =N) CC3) C2) C1=O) [H]) [H]
Molecular Formula
C15H21N3O4S
Molecular Weight
339.41
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Panipenem

Panipenem is an organic molecular entity.

CAS Number87726-17-8
PubChem CID72015
IUPAC Name(5R,6S)-3-[(3S)-1-ethanimidoylpyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Molecular FormulaC15H21N3O4S
Molecular Weight339.4
XLogP0
Topological Polar Surface Area130
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity606
SMILES
C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)S[C@H]3CCN(C3)C(=N)C)O
InChI
InChI=1S/C15H21N3O4S/c1-7(19)12-10-5-11(13(15(21)22)18(10)14(12)20)23-9-3-4-17(6-9)8(2)16/h7,9-10,12,16,19H,3-6H2,1-2H3,(H,21,22)/t7-,9+,10-,12-/m1/s1
InChIKey
TYMABNNERDVXID-DLYFRVTGSA-N
Chemical Structure
2D Structure
2D structure of Panipenem
CAS: 87726-17-8
CID: 72015
Formula: C15H21N3O4S
MW: 339.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight339.4
XLogP30
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass339.12527733
Monoisotopic Mass339.12527733
Topological Polar Surface Area130 Ų
Heavy Atom Count23
Formal Charge0
Complexity606
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