Drinabant

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Also known as: 358970-97-5, Ave-1625, Ave1625, Drinabant [inn], Ave 1625, 61s98rll5i

Molecular Formula

C₂₃H₂₀Cl₂F₂N₂O₂S

Molecular Weight

497.4 g/mol

InChI Key

IQQBRKLVEALROM-UHFFFAOYSA-N

FDA UNII

61S98RLL5I

AVE-1625 is an oral selective and potent antagonist of cannabinoid 1 (CB1) receptors having the same mechanism of action as rimonabant. It is currently developed in obesity and its associated comorbidities. AVE-1625 is also being developed for the treatment of Alzheimer disease.

1 2D Structure

Drinabant

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-N-(3,5-difluorophenyl)methanesulfonamide

2.1.2 InChI

InChI=1S/C23H20Cl2F2N2O2S/c1-32(30,31)29(21-11-19(26)10-20(27)12-21)22-13-28(14-22)23(15-2-6-17(24)7-3-15)16-4-8-18(25)9-5-16/h2-12,22-23H,13-14H2,1H3

2.1.3 InChI Key

IQQBRKLVEALROM-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CS(=O)(=O)N(C1CN(C1)C(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)C4=CC(=CC(=C4)F)F

2.2 Other Identifiers

2.2.1 UNII

61S98RLL5I

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Ave1625

2.3.2 Depositor-Supplied Synonyms

1. 358970-97-5

2. Ave-1625

3. Ave1625

4. Drinabant [inn]

5. Ave 1625

6. 61s98rll5i

7. N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-n-(3,5-difluorophenyl)methanesulfonamide

8. N-(1-(bis(4-chlorophenyl)methyl)azetidin-3-yl)-n-(3,5-difluorophenyl)methanesulfonamide

9. Unii-61s98rll5i

10. Drinabant [who-dd]

11. Schembl684143

12. Chembl3545166

13. Dtxsid50189455

14. Zinc59299699

15. Hy-14788

16. Cs-0003562

17. 970d975

18. Q5307675

19. Methanesulfonamide, N-(1-(bis(4-chlorophenyl)methyl)-3-azetidinyl)-n-(3,5-difluorophenyl)-

20. N-[1-[bis(4-chlorophenyl)methyl]-3-azetidinyl]-n-(3,5-difluorophenyl)methanesulfonamide

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₂₃H₂₀Cl₂F₂N₂O₂S
Molecular Weight	497.4 g/mol
XLogP3	5.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	496.0590608 g/mol
Monoisotopic Mass	496.0590608 g/mol
Topological Polar Surface Area	49 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	686
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