Basic information
- CAS
854306-72-2- Standard SMILES
Cc1ccc(O)c(C(CCN(CCC(c2ccccc2)c2cc(C)ccc2O)C(C)C)c2ccccc2)c1- InChIKey
OVJNATACTARGSL-UHFFFAOYSA-N- Molecular formula
- C35H41NO2
- Average molar mass
- 507.7 g/mol
- Monoisotopic mass
- 507.31372955
Names & identifiers
- Preferred name
- Tolterodine Dimer
- IUPAC
- 2-[3-[[3-(2-hydroxy-5-methylphenyl)-3-phenylpropyl]-propan-2-ylamino]-1-phenylpropyl]-4-methylphenol
- English name
- Tolterodine DiMer IMpurity
- Molecular formula
- C35H41NO2
- Molecular weight
- 507.71
Names & synonyms
Tolterodine Dimer854306-72-22-[3-[[3-(2-hydroxy-5-methylphenyl)-3-phenylpropyl]-propan-2-ylamino]-1-phenylpropyl]-4-methylphenol2,2'-[[(1-Methylethyl)imino]bis(1-phenyl-3,1-propanediyl)]bis[4-methylphenol]Tolterodine Impurity 9Tolterodine Impurity JMJD3AVL2S5AGN-PC-009PVJorb1740932SCHEMBL2789540DTXSID50435181EJB30672
Show more names
Tolterodine MonomerTolterodine Dimer (USP)Tolterodine impurity Z08Tolterodine DiMer IMpurityTolterodine Dimer Impurity (Mixture of Diastereomers)PHENOL, 2,2'-[[(1-METHYLETHYL)IMINO]BIS(1-PHENYL-3,1-PROPANEDIYL)]BIS[4-METHYL- (9CI)2,2'-((isopropylazanediyl)bis(1-phenylpropane-3,1-diyl))bis(4-methylphenol) hydrochloride
HY-W708197T685482,2'-((isopropylazanediyl)bis(1-phenylpropane-3,1-diyl))bis(4-methylphenol)2,2'-{[(Propan-2-yl)azanediyl]bis(1-phenylpropane-3,1-diyl)}bis(4-methylphenol)Phenol, 2,2'-[[(1-methylethyl)imino]bis(1-phenyl-3,1-propanediyl)]bis[4-methyl-Tolterodine Dimer; Phenol, 2,2'-[[(1-methylethyl)imino]bis(1-phenyl-3,1-propanediyl)]bis[4-methyl-; 2,2'-[[(1-Methylethyl)imino]bis(1-phenyl-3,1-propanediyl)]bis[4-methylphenol]; Tolterodine Dimer; 2,2'-[(Isopropylazanediyl)bis(1-phenylpropane-3,1-diyl)]bis(4-methylphenol)
Properties
Computed structural properties
- XLogP
- 8.6
- Topological polar surface area
- 43.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 602
Physicochemical properties
- Boiling point
- 656.2 · 656.2±55.0 °C(Predicted)
- Density
- 1.096 · 1.096±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- solubility
- DMSO: soluble,Ethanol: soluble,Methanol: soluble
- form
- A solid
- pka
- 9.93 · 9.93±0.48(Predicted)
- Major Application
- pharmaceutical small molecule
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P330-P302+P352-P321-P304+P340-P305+P351+P338-P332+P313-P362+P364-P337+P313-P501
- WGK Germany
- 2 · WGK 2
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 2
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302+H312+H332-H315-H319
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P330-P302+P352-P321-P304+P340-P305+P351+P338-P332+P313-P362+P364-P337+P313-P501
Chemistry & industry
Applications
UsesTolterodine dimer is a derivative of Tolterodine (T535795), a muscarinic receptor antagonist that is used to treat patients with overactive bladder.
Suppliers28 total
上海策嵘生物科技有限公司[email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
南京望知星医药科技有限公司18569809817 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
怀化元研达生物技术有限责任公司18711085600; 18229999901 · [email protected]
希瓦生物科技（广州）有限公司13268215580 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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