Tematropium

CAT: 0013-GTR19206284-08Size: 200 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19206284-08Size:200 mg

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Description

Tematropium (CDDD3602) is a small molecule anticholinergic agent suitable for neurological research. It is utilized in both in vitro binding assays and in vivo studies to investigate cholinergic pathways and related disorders.

CAS Number

113932-41-5

Product Name Alternative

HGP 6, HGP6, HGP-6, Anticholinergics, Cholinergic, CDDD 3602, CDDD3602, CDDD-3602, Tematropium, Tematropium metilsulfate

Field of Research

Neuroscience

Purity

98.87% (May vary between batches)

Solubility

DMSO:50 mg/mL (109.28 mM)

Smiles

S (OC) (=O) (=O) [O-].C (C (O[C@H]1C[C@@]2 ([N+] (C) (C) [C@] (C1) (CC2) [H]) [H]) =O) (C (OCC) =O) C3=CC=CC=C3

Molecular Formula

C21H31NO8S

Molecular Weight

457.54

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Tematropium

Tematropium methylsulfate is a tropane alkaloid.

CAS Number	113932-41-5
PubChem CID	23725042
IUPAC Name	1-O-[(1S,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-O-ethyl 2-phenylpropanedioate;methyl sulfate
Molecular Formula	C21H31NO8S
Molecular Weight	457.5
Topological Polar Surface Area	127
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Heavy Atom Count	31
Formal Charge	0
Complexity	573

SMILES

CCOC(=O)C(C1=CC=CC=C1)C(=O)OC2C[C@H]3CC[C@@H](C2)[N+]3(C)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C20H28NO4.CH4O4S/c1-4-24-19(22)18(14-8-6-5-7-9-14)20(23)25-17-12-15-10-11-16(13-17)21(15,2)3;1-5-6(2,3)4/h5-9,15-18H,4,10-13H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1/t15-,16+,17?,18?;

InChIKey

YLMCBOIUJONUGH-JFHFZLIBSA-M

Chemical Structure

2D Structure

CAS: 113932-41-5

CID: 23725042

Formula: C21H31NO8S

MW: 457.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	457.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Exact Mass	457.17703812
Monoisotopic Mass	457.17703812
Topological Polar Surface Area	127 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	573
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
NEA93241	Tematropium methylsulfate
T10732-01	Tematropium

Tematropium

Chemical Information

Alternative Products

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