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Benzydamine N-Oxide

CAT: 0572-TRC-B209960-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B209960-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
36504-71-9
Synonyms
N,N-Dimethyl-3-[[1-(phenylmethyl)-1H-indazol-3-yl]oxy]-1-propanamine;
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
CN(CCCOC1=NN(CC2=CC=CC=C2)C3=CC=CC=C31)(C)=O
Molecular Formula
C19H23N3O2
Molecular Weight
325.4
Shipping Conditions
Ice Packs
Storage Conditions
-20°C

Chemical Information

Benzydamine N-oxide

RN given refers to parent cpd; structure given in first source; metabolite of benzydamine

CAS Number36504-71-9
PubChem CID65465
IUPAC Name3-(1-benzylindazol-3-yl)oxy-N,N-dimethylpropan-1-amine oxide
Molecular FormulaC19H23N3O2
Molecular Weight325.4
XLogP3.3
Topological Polar Surface Area45.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count24
Formal Charge0
Complexity385
SMILES
C[N+](C)(CCCOC1=NN(C2=CC=CC=C21)CC3=CC=CC=C3)[O-]
InChI
InChI=1S/C19H23N3O2/c1-22(2,23)13-8-14-24-19-17-11-6-7-12-18(17)21(20-19)15-16-9-4-3-5-10-16/h3-7,9-12H,8,13-15H2,1-2H3
InChIKey
VHKKEFPZHPEYJK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzydamine N-oxide
CAS: 36504-71-9
CID: 65465
Formula: C19H23N3O2
MW: 325.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight325.4
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass325.17902698
Monoisotopic Mass325.17902698
Topological Polar Surface Area45.1 Ų
Heavy Atom Count24
Formal Charge0
Complexity385
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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