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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

Rivoglitazone Hydrochloride

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 Formula	C₂₀H₂₀ClN₃O₄S
Molecular Weight	433.9 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	433.0863050 g/mol
Monoisotopic Mass	433.0863050 g/mol
Topological Polar Surface Area	108 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	584
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