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Sydnophene

CAT: 0013-GTR19211068-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19211068-02Size:50 mg
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Description
Sydnophene is a synthetic intermediate used in the preparation of Mesocarb metabolites. Mesocarb is a central nervous system stimulant and dopamine reuptake inhibitor, making this compound relevant for pharmacological and neurochemical research in both in vitro and in vivo experimental settings.
CAS Number
3441-64-3
Smiles
C (CC1=CC=CC=C1) (C) [N+]=2C=C (N) ON2.[Cl-]
Molecular Formula
C11H14ClN3O
Molecular Weight
239.7
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Sidnofen
CAS Number3441-64-3
PubChem CID160690
IUPAC Name3-(1-phenylpropan-2-yl)-2H-oxadiazol-2-ium-5-amine chloride
Molecular FormulaC11H16ClN3O
Molecular Weight241.72
Topological Polar Surface Area55.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity236
SMILES
CC(CC1=CC=CC=C1)N2C=C(O[NH2+]2)N.[Cl-]
InChI
InChI=1S/C11H15N3O.ClH/c1-9(14-8-11(12)15-13-14)7-10-5-3-2-4-6-10;/h2-6,8-9,13H,7,12H2,1H3;1H
InChIKey
MLOOCBHQXJABTO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sidnofen
CAS: 3441-64-3
CID: 160690
Formula: C11H16ClN3O
MW: 241.72
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight241.72
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass241.0981898
Monoisotopic Mass241.0981898
Topological Polar Surface Area55.1 Ų
Heavy Atom Count16
Formal Charge0
Complexity236
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TRC-S885650-5MGSydnophene
445642-01D-Sydnophene

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