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Rhombifoline

CAT: 0013-GTR19183164-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19183164-01Size:1 mg
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Description
Rhombifoline
CAS Number
529-78-2
Product Name Alternative
Antioxidant, Rhombifoline
Field of Research
Metabolism Research
Purity
99.54% (May vary between batches)
Solubility
DMSO:90 mg/mL (368.35 mM)
Smiles
[H][C@@]12CN (CCC=C) C[C@@] ([H]) (C1) c1cccc (=O) n1C2
Molecular Formula
C15H20N2O
Molecular Weight
244.33
Storage Conditions
Store at low temperature, keep away from direct sunlight, keep away from moisture | Pure form: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.
Notes
For research use only.

Chemical Information

(1R,5S)-3-(3-Buten-1-yl)-1,2,3,4,5,6-hexahydro-1,5-methano-8H-pyrido(1,2-a)(1,5)diazocin-8-one

rhombifoline has been reported in Thermopsis lanceolata, Maackia amurensis, and other organisms with data available.

CAS Number529-78-2
PubChem CID92795
IUPAC Name(1R,9S)-11-but-3-enyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
Molecular FormulaC15H20N2O
Molecular Weight244.33
XLogP1.8
Topological Polar Surface Area23.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity424
SMILES
C=CCCN1C[C@@H]2C[C@H](C1)C3=CC=CC(=O)N3C2
InChI
InChI=1S/C15H20N2O/c1-2-3-7-16-9-12-8-13(11-16)14-5-4-6-15(18)17(14)10-12/h2,4-6,12-13H,1,3,7-11H2/t12-,13+/m0/s1
InChIKey
ZVTFRRVBMAUIQW-QWHCGFSZSA-N
Chemical Structure
2D Structure
2D structure of (1R,5S)-3-(3-Buten-1-yl)-1,2,3,4,5,6-hexahydro-1,5-methano-8H-pyrido(1,2-a)(1,5)diazocin-8-one
CAS: 529-78-2
CID: 92795
Formula: C15H20N2O
MW: 244.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight244.33
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass244.157563266
Monoisotopic Mass244.157563266
Topological Polar Surface Area23.6 Ų
Heavy Atom Count18
Formal Charge0
Complexity424
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
AB2798Rhombifoline

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