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2D Structure
Also known as: Rivoglitazone hcl, 60hqu68h8a, 299176-11-7, 299176-11-7 (hcl), 2,4-thiazolidinedione, 5-((4-((6-methoxy-1-methyl-1h-benzimidazol-2-yl)methoxy)phenyl)methyl)-, hydrochloride, 5-(4-((6-methoxy-1-methyl-1h-benzo[d]imidazol-2-yl)methoxy)benzyl)thiazolidine-2,4-dione hydrochloride
Molecular Formula
C20H20ClN3O4S
Molecular Weight
433.9  g/mol
InChI Key
LKKAMJRUPIIUTC-UHFFFAOYSA-N
FDA UNII
60HQU68H8A

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5-[[4-[(6-methoxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride
2.1.2 InChI
InChI=1S/C20H19N3O4S.ClH/c1-23-16-10-14(26-2)7-8-15(16)21-18(23)11-27-13-5-3-12(4-6-13)9-17-19(24)22-20(25)28-17;/h3-8,10,17H,9,11H2,1-2H3,(H,22,24,25);1H
2.1.3 InChI Key
LKKAMJRUPIIUTC-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CN1C2=C(C=CC(=C2)OC)N=C1COC3=CC=C(C=C3)CC4C(=O)NC(=O)S4.Cl
2.2 Other Identifiers
2.2.1 UNII
60HQU68H8A
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. Rivoglitazone Hcl

2. 60hqu68h8a

3. 299176-11-7

4. 299176-11-7 (hcl)

5. 2,4-thiazolidinedione, 5-((4-((6-methoxy-1-methyl-1h-benzimidazol-2-yl)methoxy)phenyl)methyl)-, Hydrochloride

6. 5-(4-((6-methoxy-1-methyl-1h-benzo[d]imidazol-2-yl)methoxy)benzyl)thiazolidine-2,4-dione Hydrochloride

7. Unii-60hqu68h8a

8. Cs-011 Hydrochloride

9. Schembl1592290

10. Chembl3526905

11. Ci-1037

12. Rivoglitazone Hydrochloride [who-dd]

13. Q27263228

14. 2,4-thiazolidinedione, 5-((4-((6-methoxy-1-methyl-1h-benzimidazol-2-yl)methoxy)phenyl)methyl)-, Hydrochloride (1:1)

15. 2,4-thiazolidinedione, 5-((4-((6-methoxy-1-methyl-1h-benzimidazol-2-yl)methoxy)phenyl)methyl)-, Monohydrochloride

16. 5-[[4-[(6-methoxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride

17. 5-[4-(6-methoxy-1-methyl-1-h-benzimidazol-2-ylmethoxy)benzyl]thiazolidin-2,4-dione Hydrochloride

18. 5-[4-(6-methoxy-1-methyl-1h-benzimidazol-2-ylmethoxy)benzyl]thiazolidine-2,4-dione Hydrochloride

19. 5-[4-(6-methoxy-1-methylbenzimidazol-2-ylmethoxy)benzyl]thiazolidin-2,4-dione Mono-hydrochloride

2.4 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 433.9 g/mol
Molecular Formula C20H20ClN3O4S
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass433.0863050 g/mol
Monoisotopic Mass433.0863050 g/mol
Topological Polar Surface Area108 Ų
Heavy Atom Count29
Formal Charge0
Complexity584
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2