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Oxomemazine N-Oxide

CAT: 0572-TRC-O857875-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-O857875-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2731709-58-1
Hazard Statement
No Data Available
Smiles
CC(CN(C1=CC=CC=C1S2(=O)=O)C3=C2C=CC=C3)C[N+](C)(C)[O-]
Molecular Formula
C18H22N2O3S
Molecular Weight
346.44
InChI
InChI=1S/C18H22N2O3S/c1-14(13-20(2,3)21)12-19-15-8-4-6-10-17(15)24(22,23)18-11-7-5-9-16(18)19/h4-11,14H,12-13H2,1-3H3
Additionnal Information
IUPAC name: 3-(5,5-dioxido-10H-phenothiazin-10-yl)-N,N,2-trimethylpropan-1-amine oxide
Shipping Conditions
Room Temperature

Chemical Information

Oxomemazine N-Oxide
CAS Number2731709-58-1
PubChem CID129318741
IUPAC Name3-(5,5-dioxophenothiazin-10-yl)-N,N,2-trimethylpropan-1-amine oxide
Molecular FormulaC18H22N2O3S
Molecular Weight346.4
XLogP2.8
Topological Polar Surface Area63.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity513
SMILES
CC(CN1C2=CC=CC=C2S(=O)(=O)C3=CC=CC=C31)C[N+](C)(C)[O-]
InChI
InChI=1S/C18H22N2O3S/c1-14(13-20(2,3)21)12-19-15-8-4-6-10-17(15)24(22,23)18-11-7-5-9-16(18)19/h4-11,14H,12-13H2,1-3H3
InChIKey
WEBKISOKFNYDNR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Oxomemazine N-Oxide
CAS: 2731709-58-1
CID: 129318741
Formula: C18H22N2O3S
MW: 346.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight346.4
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass346.13511374
Monoisotopic Mass346.13511374
Topological Polar Surface Area63.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity513
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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