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Tolterodine Impurity 25

CAT: 1299-RM-T201825-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-T201825-01Size:10 mg
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CAS Number
1076199-77-3
Synonyms
3- (3- (diisopropylamino) -1-phenylpropyl) -4-hydroxybenzoic acid
Molecular Formula
C22H29NO3
Molecular Weight
355.47
Target Alternative Name
Tolterodine
Product Name Synonym
3- (3- (diisopropylamino) -1-phenylpropyl) -4-hydroxybenzoic acid

Chemical Information

rac 5-Carboxy Tolterodine
CAS Number1076199-77-3
PubChem CID10089561
IUPAC Name3-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-hydroxybenzoic acid
Molecular FormulaC22H29NO3
Molecular Weight355.5
XLogP2.5
Topological Polar Surface Area60.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count26
Formal Charge0
Complexity423
SMILES
CC(C)N(CCC(C1=CC=CC=C1)C2=C(C=CC(=C2)C(=O)O)O)C(C)C
InChI
InChI=1S/C22H29NO3/c1-15(2)23(16(3)4)13-12-19(17-8-6-5-7-9-17)20-14-18(22(25)26)10-11-21(20)24/h5-11,14-16,19,24H,12-13H2,1-4H3,(H,25,26)
InChIKey
NKTNTJFTBRPQIZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of rac 5-Carboxy Tolterodine
CAS: 1076199-77-3
CID: 10089561
Formula: C22H29NO3
MW: 355.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight355.5
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass355.21474379
Monoisotopic Mass355.21474379
Topological Polar Surface Area60.8 Ų
Heavy Atom Count26
Formal Charge0
Complexity423
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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