Ulixacaltamide

Synopsis, Chemistry

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Also known as: 1199236-64-0, Z944, Ulixacaltamide, Ulixacaltamide [inn], Z 944, Qt2pjh89c3

Molecular Formula

C₁₉H₂₇ClFN₃O₂

Molecular Weight

383.9 g/mol

InChI Key

JOCLITFYIMJMNK-UHFFFAOYSA-N

FDA UNII

QT2PJH89C3

1 2D Structure

Ulixacaltamide

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-[[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]methyl]-3-chloro-5-fluorobenzamide

2.1.2 InChI

InChI=1S/C19H27ClFN3O2/c1-19(2,3)23-17(25)12-24-6-4-13(5-7-24)11-22-18(26)14-8-15(20)10-16(21)9-14/h8-10,13H,4-7,11-12H2,1-3H3,(H,22,26)(H,23,25)

2.1.3 InChI Key

JOCLITFYIMJMNK-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)(C)NC(=O)CN1CCC(CC1)CNC(=O)C2=CC(=CC(=C2)Cl)F

2.2 Other Identifiers

2.2.1 UNII

QT2PJH89C3

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Z944

2. Z944 Compound

2.3.2 Depositor-Supplied Synonyms

1. 1199236-64-0

2. Z944

3. Ulixacaltamide

4. Ulixacaltamide [inn]

5. Z 944

6. Qt2pjh89c3

7. N-[[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]methyl]-3-chloro-5-fluorobenzamide

8. Chembl3934636

9. Z-944

10. 1-piperidineacetamide, 4-(((3-chloro-5-fluorobenzoyl)amino)methyl)-n-(1,1-dimethylethyl)-

11. 4-(((3-chloro-5-fluorobenzoyl)amino)methyl)-n-(1,1-dimethylethyl)-1-piperidineacetamide

12. 4-[[(3-chloro-5-fluorobenzoyl)amino)methyl]-n-(1,1-dimethylethyl)-1-piperidineacetamide

13. N-({1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl}methyl)-3-chloro-5-fluorobenzamide

14. Unii-qt2pjh89c3

15. Gtpl7718

16. Schembl4271563

17. Dtxsid60659275

18. Bdbm50192689

19. Zinc68151606

20. Hy-120546

21. Cs-0078307

22. Ft-0664015

23. Q27089278

24. Dzr

2.4 Create Date

2010-01-11

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₂₇ClFN₃O₂
Molecular Weight	383.9 g/mol
XLogP3	3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	61.4
Heavy Atom Count	26
Formal Charge	0
Complexity	490
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

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.)