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Rivastigmine N-Oxide

CAT: 0926-FR74759-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-FR74759-01Size:50 mg
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CAS Number
1369779-37-2
MDL Number
MFCD22056682
Smiles
CCN (C) C (=O) Oc1cccc (c1) [C@H] (C) [N+] (C) (C) [O-]
Molecular Formula
C14H22N2O3
Molecular Weight
266.34 g/mol
Controlled
No

Chemical Information

Rivastigmine N-Oxide (Technical Grade)
CAS Number1369779-37-2
PubChem CID73357705
IUPAC Name(1S)-1-[3-[ethyl(methyl)carbamoyl]oxyphenyl]-N,N-dimethylethanamine oxide
Molecular FormulaC14H22N2O3
Molecular Weight266.34
XLogP1.7
Topological Polar Surface Area47.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count19
Formal Charge0
Complexity307
SMILES
CCN(C)C(=O)OC1=CC=CC(=C1)[C@H](C)[N+](C)(C)[O-]
InChI
InChI=1S/C14H22N2O3/c1-6-15(3)14(17)19-13-9-7-8-12(10-13)11(2)16(4,5)18/h7-11H,6H2,1-5H3/t11-/m0/s1
InChIKey
MBMWTVGNCZCYGB-NSHDSACASA-N
Chemical Structure
2D Structure
2D structure of Rivastigmine N-Oxide (Technical Grade)
CAS: 1369779-37-2
CID: 73357705
Formula: C14H22N2O3
MW: 266.34
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight266.34
XLogP31.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass266.16304257
Monoisotopic Mass266.16304257
Topological Polar Surface Area47.6 Ų
Heavy Atom Count19
Formal Charge0
Complexity307
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes