chempirical

Tolterodine tartrate

C26H37NO7CAS 124937-52-6475.58 g/mol

Open in Covalent MOL file
OHNOHOOHOHOOH
AlcoholCarboxylic acidPhenolTertiary 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 Ų
H-bond donors / acceptors
5 / 6
Rotatable bonds
10
Stereocentres
R, R, Rin SMILES atom order

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

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-, (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

Similar compounds

2-[3-[Bis(1-methylethyl)amino]-1-phenylpropyl]-4-methylphenol124936-74-977 % similar Tolterodine124937-51-577 % similar 5-Hydroxymethyltolterodine207679-81-057 % similar 2-Methoxy-5-methyl-n,n-bis(1-methylethyl)-gamma-phenylbenzenepropanamine fumarate124935-89-356 % 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 (-)-Epinephrine (+)-bitartrate51-42-338 % similar Ifenprodil tartrate23210-58-438 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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