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Nonabine

CAT: 1410-M34349-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M34349-02Size:5 mg
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Description
Nonabine is a compound with strong antiemetic properties that can be used to prevent nausea and vomiting associated with cancer chemotherapy.
CAS Number
16985-03-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
379.54
Molecular Formula
C25H33NO2
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

7-(1,2-Dimethylheptyl)-2,2-dimethyl-4-(4-pyridinyl)-2H-1-benzopyran-5-ol

structure given in first source

CAS Number16985-03-8
PubChem CID71885
IUPAC Name2,2-dimethyl-7-(3-methyloctan-2-yl)-4-pyridin-4-ylchromen-5-ol
Molecular FormulaC25H33NO2
Molecular Weight379.5
XLogP6.7
Topological Polar Surface Area42.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count28
Formal Charge0
Complexity523
SMILES
CCCCCC(C)C(C)C1=CC(=C2C(=C1)OC(C=C2C3=CC=NC=C3)(C)C)O
InChI
InChI=1S/C25H33NO2/c1-6-7-8-9-17(2)18(3)20-14-22(27)24-21(19-10-12-26-13-11-19)16-25(4,5)28-23(24)15-20/h10-18,27H,6-9H2,1-5H3
InChIKey
YHUDSHIRWOVVCV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-(1,2-Dimethylheptyl)-2,2-dimethyl-4-(4-pyridinyl)-2H-1-benzopyran-5-ol
CAS: 16985-03-8
CID: 71885
Formula: C25H33NO2
MW: 379.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight379.5
XLogP36.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass379.251129295
Monoisotopic Mass379.251129295
Topological Polar Surface Area42.4 Ų
Heavy Atom Count28
Formal Charge0
Complexity523
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BUP07362-01Nonabine

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