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Biapenem 200mg

CAT: 0628-A10136-200Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0628-A10136-200Size:200 mg
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CAS Number
120410-24-4

Chemical Information

Biapenem

Biapenem is a carbapenem antibiotic in which the azetidine and pyrroline rings carry 1-hydroxymethyl and pyrazolo[1,2-a][1,2,4]triazolium-6-ylthio substituents respectively. It has a role as an antibacterial drug. It is an organic sulfide, a member of carbapenems and a pyrazolotriazole.

CAS Number120410-24-4
PubChem CID71339
IUPAC Name(4R,5S,6S)-3-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
Molecular FormulaC15H18N4O4S
Molecular Weight350.4
XLogP1.4
Topological Polar Surface Area128
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity609
SMILES
C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1SC3CN4C=NC=[N+]4C3)C(=O)[O-])[C@@H](C)O
InChI
InChI=1S/C15H18N4O4S/c1-7-11-10(8(2)20)14(21)19(11)12(15(22)23)13(7)24-9-3-17-5-16-6-18(17)4-9/h5-11,20H,3-4H2,1-2H3/t7-,8-,10-,11-/m1/s1
InChIKey
MRMBZHPJVKCOMA-YJFSRANCSA-N
Chemical Structure
2D Structure
2D structure of Biapenem
CAS: 120410-24-4
CID: 71339
Formula: C15H18N4O4S
MW: 350.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight350.4
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass350.10487624
Monoisotopic Mass350.10487624
Topological Polar Surface Area128 Ų
Heavy Atom Count24
Formal Charge0
Complexity609
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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