Tolterodine tartrate

C₂₆H₃₇NO₇CAS 124937-52-6475.58 g/mol

Open in Covalent MOL file

Alcohol Carboxylic acid Phenol Tertiary amine

Properties

Molecular formula: C₂₆H₃₇NO₇
Molar mass: 475.58 g/mol
Exact mass: 475.2570 Da
Melting point: 216 °C
logP: 3.22Crippen estimate
Polar surface area: 138.5 Å²
H-bond donors / acceptors: 5 / 6
Rotatable bonds: 10
Stereocentres: R, R, Rin SMILES atom order

Hazards

Danger

H301 Toxic if swallowed66.7% of notifiers
H302 Harmful if swallowed34.2% of notifiers
H361 Suspected of damaging fertility or the unborn child98.2% of notifiers
H411 Toxic to aquatic life with long lasting effects27.2% of notifiers

Aggregated from 114 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P264, P270, P273, P280, P301+P316, P301+P317, P318, P321, P330, P391, P405, P501

Identifiers

CAS number

124937-52-6

SMILES

Cc1ccc(O)c([C@H](CCN(C(C)C)C(C)C)c2ccccc2)c1.O=C(O)[C@H](O)[C@@H](O)C(=O)O

InChIKey

TWHNMSJGYKMTRB-KXYUELECSA-N

InChI

InChI=1S/C22H31NO.C4H6O6/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;5-1(3(7)8)2(6)4(9)10/h6-12,15-17,20,24H,13-14H2,1-5H3;1-2,5-6H,(H,7,8)(H,9,10)/t20-;1-,2-/m11/s1

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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-, (2R,3R)-2,3-dihydroxybutanedioate (1:1)
Phenol, 2-[3-[bis(1-methylethyl)amino]-1-phenylpropyl]-4-methyl-, (R)-, [R-(R*,R*)]-2,3-dihydroxybutanedioate (1:1) (salt)
Phenol, 2-[(1R)-3-[bis(1-methylethyl)amino]-1-phenylpropyl]-4-methyl-, (2R,3R)-2,3-dihydroxybutanedioate (1:1) (salt)
Detrusitol
PNU 200583E
Detrol
Tolterodinium (+)-(2R,3R)-hydrogen tartrate (1:1)
(R)-Tolterodine L-tartrate
(R)-(+)-N,N-Diisopropyl-3-(2-hydroxy-5-methylphenyl)-3-phenylpropylamine L-tartrate
Tolterodine L-tartrate
(R)-Tolterodine tartrate
Tolterodine tartaric acid
Terol

Work with Tolterodine tartrate

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.

Tartaric acid87-69-4Free acid D-Tartaric acid147-71-7Free acid, enantiomer DL-Tartaric acid133-37-9Free acid, enantiomer 2,3-Dihydroxybutanedioic acid526-83-0Free acid, stereo not defined Tolterodine124937-51-5Free base 2-[3-[Bis(1-methylethyl)amino]-1-phenylpropyl]-4-methylphenol124936-74-9Free base, stereo not defined Potassium bitartrate868-14-4Salt Sodium tartrate868-18-8Salt Potassium sodium tartrate304-59-6Salt Potassium tartrate921-53-9Salt N,N-Dimethylethanolamine bitartrate5988-51-2Salt (-)-Epinephrine (+)-bitartrate51-42-3Salt

Similar compounds

2-(3-(Di(propan-2-yl)amino)-1-phenylpropyl)-4-(hydroxymethyl)phenol200801-70-357 % similar 5-Hydroxymethyltolterodine207679-81-057 % similar 2-Methoxy-5-methyl-n,n-bis(1-methylethyl)-gamma-phenylbenzenepropanamine fumarate124935-89-356 % similar Fesoterodine fumarate286930-03-840 % similar 3,4-Dihydro-6-methyl-4-phenyl-2H-1-benzopyran-2-one40546-94-939 % similar 2-Methoxy-5-methyl-β-phenylbenzenepropanoic acid109089-77-238 % similar 2-Methoxy-5-methyl-γ-phenylbenzenepropanol124937-73-136 % similar 2-(2,5-Dimethylphenyl)-2-hydroxyacetic acid5766-40-536 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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