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2D Structure
Also known as: 63661-61-0, Parkinsan, Budipine (hydrochloride), Nbf4q9307q, 1-tert-butyl-4,4-diphenylpiperidinium chloride, Budipine hcl
Molecular Formula
C21H28ClN
Molecular Weight
329.9  g/mol
InChI Key
USUUKNCFNKZGEY-UHFFFAOYSA-N
FDA UNII
NBF4Q9307Q

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-tert-butyl-4,4-diphenylpiperidine;hydrochloride
2.1.2 InChI
InChI=1S/C21H27N.ClH/c1-20(2,3)22-16-14-21(15-17-22,18-10-6-4-7-11-18)19-12-8-5-9-13-19;/h4-13H,14-17H2,1-3H3;1H
2.1.3 InChI Key
USUUKNCFNKZGEY-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(C)(C)N1CCC(CC1)(C2=CC=CC=C2)C3=CC=CC=C3.Cl
2.2 Other Identifiers
2.2.1 UNII
NBF4Q9307Q
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 4,4-diphenyl-1-tert-butylpiperidine Hydrochloride

2. Budipine

3. Parkinsan

2.3.2 Depositor-Supplied Synonyms

1. 63661-61-0

2. Parkinsan

3. Budipine (hydrochloride)

4. Nbf4q9307q

5. 1-tert-butyl-4,4-diphenylpiperidinium Chloride

6. Budipine Hcl

7. 1-tert-butyl-4,4-diphenylpiperidine;hydrochloride

8. Unii-nbf4q9307q

9. Parkinsan (tn)

10. Einecs 264-388-5

11. 1-tert-butyl-4,4-diphenylpiperidine Hydrochloride

12. Schembl1506558

13. Niosh/tm5031200

14. Budipine Hydrochloride [mi]

15. By-701

16. Budipine Hydrochloride [who-dd]

17. Tm50312000

18. D07589

19. 1-t-butyl-4,4-di-phenyl-piperidine-hydrochloride

20. Q27284776

21. Piperidine, 1-tert-butyl-4,4-diphenyl-, Hydrochloride

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 329.9 g/mol
Molecular Formula C21H28ClN
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass329.1910276 g/mol
Monoisotopic Mass329.1910276 g/mol
Topological Polar Surface Area3.2 Ų
Heavy Atom Count23
Formal Charge0
Complexity313
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Antiparkinson Agents

Agents used in the treatment of Parkinson's disease. The most commonly used drugs act on the dopaminergic system in the striatum and basal ganglia or are centrally acting muscarinic antagonists. (See all compounds classified as Antiparkinson Agents.)