Tolterodine

C22H31NOCAS 124937-51-5325.50 g/mol

Open in Covalent MOL file
OHN
PhenolTertiary amine

Properties

Molecular formula
C22H31NO
Molar mass
325.50 g/mol
Exact mass
325.2406 Da
pKa
9.8
logP
5.34Crippen estimate
Polar surface area
23.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
7
Stereocentres
Rin SMILES atom order

Hazards

Danger
Acute Toxic (GHS06)Health Hazard (GHS08)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P264, P270, P280, P301+P316, P318, P321, P330, P405, P501

Identifiers

CAS number
124937-51-5
SMILES
Cc1ccc(O)c([C@H](CCN(C(C)C)C(C)C)c2ccccc2)c1
InChIKey
OOGJQPCLVADCPB-HXUWFJFHSA-N
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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

13 names · show all
  • Phenol, 2-[(1R)-3-[bis(1-methylethyl)amino]-1-phenylpropyl]-4-methyl-
  • Phenol, 2-[3-[bis(1-methylethyl)amino]-1-phenylpropyl]-4-methyl-, (R)-
  • 2-[(1R)-3-[Bis(1-methylethyl)amino]-1-phenylpropyl]-4-methylphenol
  • Kabi 2234
  • PNU 200583
  • (+)-Tolterodine
  • (R)-N,N-Diisopropyl-3-(2-hydroxy-5-methylphenyl)-3-phenylpropanamine
  • (R)-N,N-Diisopropyl-N-[3-(2-hydroxy-5-methylphenyl)-3-phenylpropyl]amine
  • (R)-Tolterodine
  • (R)-(+)-Tolterodine
  • (R)-(+)-N,N-Diisopropyl-3-(2-hydroxy-5-methylphenyl)-3-phenylpropylamine
  • 2-[(1R)-3-[Di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol
  • 2-[(1R)-3-[Bis(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol

Work with Tolterodine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

2-[3-[Bis(1-methylethyl)amino]-1-phenylpropyl]-4-methylphenol124936-74-9Stereo not defined Tolterodine tartrate124937-52-6Salt

Similar compounds

2-(3-(Di(propan-2-yl)amino)-1-phenylpropyl)-4-(hydroxymethyl)phenol200801-70-371 % similar 5-Hydroxymethyltolterodine207679-81-071 % similar 2-Methoxy-5-methyl-n,n-bis(1-methylethyl)-gamma-phenylbenzenepropanamine fumarate124935-89-357 % similar 2-Methoxy-5-methyl-γ-phenylbenzenepropanol124937-73-144 % similar Fesoterodine fumarate286930-03-839 % similar 3,4-Dihydro-6-methyl-4-phenyl-2H-1-benzopyran-2-one40546-94-938 % similar 2-Methoxy-5-methyl-β-phenylbenzenepropanoic acid109089-77-237 % similar Thymol89-83-836 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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