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DSSTox_CID_28894

DSSTox_CID_28894

Synopsis, Chemistry

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Also known as: 7082-21-5, Terodiline (hydrochloride), Bicor, Terodiline hydrochloride [usan], K2za89w43f, N-t-butyl-1-methyl-3,3-diphenylpropylamine hydrochloride

Molecular Formula

C₂₀H₂₈ClN

Molecular Weight

317.9 g/mol

InChI Key

RNGHAJVBYQPLAZ-UHFFFAOYSA-N

FDA UNII

K2ZA89W43F

1 2D Structure

DSSTox_CID_28894

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-tert-butyl-4,4-diphenylbutan-2-amine;hydrochloride

2.1.2 InChI

InChI=1S/C20H27N.ClH/c1-16(21-20(2,3)4)15-19(17-11-7-5-8-12-17)18-13-9-6-10-14-18;/h5-14,16,19,21H,15H2,1-4H3;1H

2.1.3 InChI Key

RNGHAJVBYQPLAZ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(CC(C1=CC=CC=C1)C2=CC=CC=C2)NC(C)(C)C.Cl

2.2 Other Identifiers

2.2.1 UNII

K2ZA89W43F

2.3 Synonyms

2.3.1 MeSH Synonyms

1. N-tert-butyl-1-methyl-3,3-diphenylpropylamine

2. N-tert-butyl-3,3-diphenyl-1-methylpropylamine

3. Td 758

4. Td-758

5. Terodiline

2.3.2 Depositor-Supplied Synonyms

1. 7082-21-5

2. Terodiline (hydrochloride)

3. Bicor

4. Terodiline Hydrochloride [usan]

5. K2za89w43f

6. N-t-butyl-1-methyl-3,3-diphenylpropylamine Hydrochloride

7. N-tert-butyl-1-methyl-3,3-diphenylpropylamine Hydrochloride

8. N-tert-butyl-4,4-diphenylbutan-2-amine;hydrochloride

9. Terodiline Chloride

10. N-(tert-butyl)-4,4-diphenylbutan-2-amine Hydrochloride

11. Micturin

12. Micturol

13. Terodiline Hcl

14. Ncgc00183030-01

15. Td-758

16. Unii-k2za89w43f

17. Propylamine, N-tert-butyl-1-methyl-3,3-diphenyl-, Hydrochloride

18. Dsstox_cid_28894

19. Dsstox_rid_83162

20. Dsstox_gsid_48968

21. Mls004712058

22. Chembl539770

23. Dtxsid1048968

24. Chebi:32194

25. Tox21_113412

26. Hy-16489a

27. Terodiline Hydrochloride (jan/usan)

28. Terodiline Hydrochloride [mi]

29. Terodiline Hydrochloride [jan]

30. Benzenepropanamine, N-(1,1-dimethylethyl)-.alpha.-methyl-.gamma.-phenyl-, Hydrochloride

31. Benzenepropanamine, N-(1,1-dimethylethyl)-alpha-methyl-gamma-phenyl-, Hydrochloride

32. Terodiline Hydrochloride [mart.]

33. Terodiline Hydrochloride [who-dd]

34. Smr003475019

35. Cas-7082-21-5

36. Cs-0109448

37. D01873

38. Terodiline Hydrochloride, >=98% (hplc), Solid

39. Q27281873

40. (+/-)-n-tert-butyl-1-methyl-3,3-diphenylpropylamine Hydrochloride

2.4 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₂₈ClN
Molecular Weight	317.9 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	6
Exact Mass	317.1910276 g/mol
Monoisotopic Mass	317.1910276 g/mol
Topological Polar Surface Area	12 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	261
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Parasympatholytics

Agents that inhibit the actions of the parasympathetic nervous system. The major group of drugs used therapeutically for this purpose is the MUSCARINIC ANTAGONISTS. (See all compounds classified as Parasympatholytics.)

Calcium Channel Blockers

A class of drugs that act by selective inhibition of calcium influx through cellular membranes. (See all compounds classified as Calcium Channel Blockers.)