Xanomeline N-Oxide

CAT: 1299-RM-X011306-01Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:1299-RM-X011306-01Size:10 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

174656-58-7

Synonyms

5- (4- (hexyloxy) -1,2,5-thiadiazol-3-yl) -1-methyl-1,2,3,6-tetrahydropyridine 1-oxide

Molecular Formula

C14H23N3O2S

Molecular Weight

297.42

Target Alternative Name

Xanomeline

Product Name Synonym

5- (4- (hexyloxy) -1,2,5-thiadiazol-3-yl) -1-methyl-1,2,3,6-tetrahydropyridine 1-oxide

Chemical Information

Xanomeline N-Oxide

CAS Number	174656-58-7
PubChem CID	100995187
IUPAC Name	3-hexoxy-4-(1-methyl-1-oxido-3,6-dihydro-2H-pyridin-1-ium-5-yl)-1,2,5-thiadiazole
Molecular Formula	C14H23N3O2S
Molecular Weight	297.42
XLogP	2.7
Topological Polar Surface Area	81.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Heavy Atom Count	20
Formal Charge	0
Complexity	340

SMILES

CCCCCCOC1=NSN=C1C2=CCC[N+](C2)(C)[O-]

InChI

InChI=1S/C14H23N3O2S/c1-3-4-5-6-10-19-14-13(15-20-16-14)12-8-7-9-17(2,18)11-12/h8H,3-7,9-11H2,1-2H3

InChIKey

KEYSLCDUBXIHNV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 174656-58-7

CID: 100995187

Formula: C14H23N3O2S

MW: 297.42

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	297.42
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	297.15109816
Monoisotopic Mass	297.15109816
Topological Polar Surface Area	81.3 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	340
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-X011300-01	Xanomeline
RM-X011328-01	Xanomeline-D11
RM-N091208-01	Nilotinib N-Oxide (Imidazole N-Oxide)
RM-N091209-01	Nilotinib N-Oxide (Pyrimidine N-Oxide)
RM-X011324-01	Xanomeline Impurity 24
RM-X011337-01	Xanomeline Impurity 37
RM-X011334-01	Xanomeline Impurity 34
RM-X011332-01	Xanomeline Impurity 32
RM-X011326-01	Xanomeline Impurity 26
RM-X011322-01	Xanomeline Impurity 22

Catalog	Name
AR-X01002-01	Xanomeline N-Oxide
CS-O-63061	N-Methyl Xanomeline
AR-X01003-01	N-Desmethyl Xanomeline
CS-O-60911	N-Nitroso N-Desmethyl Xanomeline
CS-O-63052	Xanomeline N-Pentyl Analogue
BA5484-25	Xanomeline