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Tolterodine (Standard)

CAT: 0804-HY-A0024RSize: 1 EachDry Ice: NoHazardous: No
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Description
Tolterodine (Standard) is the analytical standard of Tolterodine. This product is intended for research and analytical applications. 0
CAS Number
124937-51-5
UNSPSC
12352100
Target
MAChR; Reference Standards
Related Pathways
GPCR/G Protein; Neuronal Signaling; Others
Field of Research
Neurological Disease; Cancer
Smiles
CC(C)N(C(C)C)CC[C@H](C1=CC=CC=C1)C2=C(O)C=CC(C)=C2
Molecular Formula
C22H31NO
Molecular Weight
325.49
References & Citations
[1]Nilvebrant L. Tolterodine and its active 5-hydroxymethyl metabolite: pure muscarinic receptor antagonists. Pharmacol Toxicol. 2002 May;90 (5) :260-7.|[2]Andersson SH, et al. Biotransformation of tolterodine, a new muscarinic receptor antagonist, in mice, rats, and dogs. Drug Metab Dispos. 1998 Jun;26 (6) :528-35.|[3]Cappon GD, et al. Tolterodine does not affect memory assessed by passive-avoidance response test in mice. Eur J Pharmacol. 2008 Jan 28;579 (1-3) :225-8.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Tolterodine

Tolterodine is a tertiary amine. It has a role as a muscarinic antagonist, a muscle relaxant and an antispasmodic drug. It is functionally related to a p-cresol.

CAS Number124937-51-5
PubChem CID443879
IUPAC Name2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol
Molecular FormulaC22H31NO
Molecular Weight325.5
XLogP5.6
Topological Polar Surface Area23.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Heavy Atom Count24
Formal Charge0
Complexity340
SMILES
CC1=CC(=C(C=C1)O)[C@H](CCN(C(C)C)C(C)C)C2=CC=CC=C2
InChI
InChI=1S/C22H31NO/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24/h6-12,15-17,20,24H,13-14H2,1-5H3/t20-/m1/s1
InChIKey
OOGJQPCLVADCPB-HXUWFJFHSA-N
Chemical Structure
2D Structure
2D structure of Tolterodine
CAS: 124937-51-5
CID: 443879
Formula: C22H31NO
MW: 325.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight325.5
XLogP35.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Exact Mass325.240564612
Monoisotopic Mass325.240564612
Topological Polar Surface Area23.5 Ų
Heavy Atom Count24
Formal Charge0
Complexity340
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

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