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(S) -Tolterodine

CAT: 0931-T204274-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T204274-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
124937-53-7
Target
AChR
Related Pathways
Neuroscience
Bioactivity
(S) -Tolterodine is an inhibitor of muscarinic acetylcholine receptors (mAChR) with an IC50 value of 588 nM.
Smiles
[C@@H](CCN(C(C)C)C(C)C)(C1=C(O)C=CC(C)=C1)C2=CC=CC=C2
Molecular Formula
C22H31NO
Molecular Weight
325.488
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(S)-Tolterodine
CAS Number124937-53-7
PubChem CID60774
IUPAC Name2-[(1S)-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-/m0/s1
InChIKey
OOGJQPCLVADCPB-FQEVSTJZSA-N
Chemical Structure
2D Structure
2D structure of (S)-Tolterodine
CAS: 124937-53-7
CID: 60774
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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