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(R) - (+) -Tolterodine

CAT: 0607-B1033-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-B1033-25Size:25 mg
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Description
Muscarinic receptor antagonists
CAS Number
124937-51-5
Product Name Alternative
2-[ (1R) -3-[di (propan-2-yl) amino]-1-phenylpropyl]-4-methylphenol
Purity
0.98
Solubility
≥42.4 mg/mL in DMSO; ≥56.5 mg/mL in EtOH; insoluble in H2O
Smiles
CC (C) N (CC[C@H] (c1ccccc1) c (cc (C) cc1) c1O) C (C) C
Molecular Formula
C22H31NO
Molecular Weight
325.49
Storage Conditions
Store at -20°C

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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