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Abbeymycin

CAT: 0013-GTR19198344-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198344-01Size:25 mg
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Description
Abbeymycin is a small molecule antibiotic compound used in biochemical research. It serves as a tool for studying bacterial inhibition and has been utilized in both in vitro antimicrobial assays and in vivo model studies of infection.
CAS Number
108073-64-9
Field of Research
Infectious Disease & Virology
Smiles
O (C) [C@H]1[C@]2 (N (C (=O) C=3C (N1) =CC=CC3) C[C@@H] (O) C2) [H]
Molecular Formula
C13H16N2O3
Molecular Weight
248.28
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Abbeymycin

Abbeymycin is a benzodiazepine.

CAS Number108073-64-9
PubChem CID176075
IUPAC Name(6S,6aS,8S)-8-hydroxy-6-methoxy-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
Molecular FormulaC13H16N2O3
Molecular Weight248.28
XLogP0.7
Topological Polar Surface Area61.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count18
Formal Charge0
Complexity336
SMILES
CO[C@H]1[C@@H]2C[C@@H](CN2C(=O)C3=CC=CC=C3N1)O
InChI
InChI=1S/C13H16N2O3/c1-18-12-11-6-8(16)7-15(11)13(17)9-4-2-3-5-10(9)14-12/h2-5,8,11-12,14,16H,6-7H2,1H3/t8-,11-,12-/m0/s1
InChIKey
SSMFXCDUJJPFBJ-UWJYBYFXSA-N
Chemical Structure
2D Structure
2D structure of Abbeymycin
CAS: 108073-64-9
CID: 176075
Formula: C13H16N2O3
MW: 248.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight248.28
XLogP30.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass248.11609238
Monoisotopic Mass248.11609238
Topological Polar Surface Area61.8 Ų
Heavy Atom Count18
Formal Charge0
Complexity336
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5776242Abbeymycin

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