Registration Dossier
Registration Dossier
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EC number: 813-966-0 | CAS number: 202189-81-9
Reference substances
- IUPAC name:
- 2-[1-(2-{4-[2-(5,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]phenyl}ethyl)piperidin-4-yl]-1H-1,3-benzodiazole
Inventory
Synonyms
- Names:
- Identifier:
- IUPAC name
- 2-[2-[4-[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]ethyl]phenyl]propan-2-yl]-4,4-dimethyl-5H-1,3-oxazole
- Identifier:
- other:
- 2-(1-(4-(2-(4,4-Dimethyl-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl)phenylethyl)piperidin-4-yl)-1Hbenzimidazole
- Identifier:
- other: SMILES notation
- CC1(COC(=N1)C(C)(C)C2=CC=C(C=C2)CCN3CCC(CC3)C4=NC5=CC=CC=C5N4)C
- Identifier:
- other: InChl
- InChI=1S/C28H36N4O/c1-27(2)19-33-26(31-27)28(3,4)22-11-9-20(10-12-22)13-16-32-17-14-21(15-18-32)25-29-23-7-5-6-8-24(23)30-25/h5-12,21H,13-19H2,1-4H3,(H,29,30)
- 2-[1-(2-{4-[2-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]phenyl}ethyl)piperidin-4-yl]-1H-1,3-benzodiazole
Molecular and structural information
- Molecular formula:
- C28H36N4O
- Molecular weight:
- 444.61
- SMILES notation:
- CC(C)(C1=NC(C)(C)CO1)c5ccc(CCN2CCC(CC2)c3nc4ccccc4n3)cc5
- InChl:
- InChI=1/C28H36N4O/c1-27(2)19-33-26(31-27)28(3,4)22-11-9-20(10-12-22)13-16-32-17-14-21(15-18-32)25-29-23-7-5-6-8-24(23)30-25/h5-12,21H,13-19H2,1-4H3,(H,29,30)
- Structural formula:
Related substances
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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