Varoglutamstat

Synopsis, Chemistry

DEVELOPMENTS

7 Drug(s) in Development

7 Drug(s) in Development

DIGITAL CONTENT

5 News

5 News

Product Search

API SUPPLIERS

API Suppliers

US DMFs Filed

CEP/COS Certifications

JDMFs Filed

Other Certificates

Other Suppliers

API REF. PRICE (USD / KG)

API Market Place

INTERMEDIATES

DOSSIERS // FDF

USA (Orange Book)

Europe

Canada

Australia

South Africa

Uploaded Dossiers

GLOBAL SALES (USD Million)

U.S. Medicaid

Annual Reports

FDF Market Place

EXCIPIENTS

PATENTS & EXCLUSIVITIES

USFDA Orange Book Patents

USFDA Exclusivities

DIGITAL CONTENT

Blog #PharmaFlow

News

REF STANDARD

EDQM

USP

Other Listed Suppliers

SERVICES

Also known as: Pq912, Pq-912, 1276021-65-8, Unii-e3dsh8ll4l, E3dsh8ll4l, (5s)-1-(3h-benzimidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one

Molecular Formula

C₁₉H₂₀N₄O₂

Molecular Weight

336.4 g/mol

InChI Key

XHIKZWOEFZENIX-GOSISDBHSA-N

FDA UNII

E3DSH8LL4L

1 2D Structure

Varoglutamstat

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(5S)-1-(3H-benzimidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one

2.1.2 InChI

InChI=1S/C19H20N4O2/c1-2-9-25-15-6-3-13(4-7-15)18-11-20-19(24)23(18)14-5-8-16-17(10-14)22-12-21-16/h3-8,10,12,18H,2,9,11H2,1H3,(H,20,24)(H,21,22)/t18-/m1/s1

2.1.3 InChI Key

XHIKZWOEFZENIX-GOSISDBHSA-N

2.1.4 Canonical SMILES

CCCOC1=CC=C(C=C1)C2CNC(=O)N2C3=CC4=C(C=C3)N=CN4

2.1.5 Isomeric SMILES

CCCOC1=CC=C(C=C1)[C@H]2CNC(=O)N2C3=CC4=C(C=C3)N=CN4

2.2 Other Identifiers

2.2.1 UNII

E3DSH8LL4L

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Pq912

2. Pq-912

3. 1276021-65-8

4. Unii-e3dsh8ll4l

5. E3dsh8ll4l

6. (5s)-1-(3h-benzimidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one

7. (s)-1-(1h-benzimidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one

8. 2-imidazolidinone, 1-(1h-benzimidazol-6-yl)-5-(4-propoxyphenyl)-, (5s)-

9. Varoglutamstat [inn]

10. Schembl1443998

11. Chembl3659477

12. Propoxyphenyl)imidazolidin-2-one

13. Bdbm98182

14. Bdbm308046

15. Glxc-15093

16. Ex-a5632

17. Pq 912

18. Hy-123821

19. Cs-0086154

20. (s)-1-(1h-benzo[d]imidazol-5-yl)-5-(4-

21. Us8486940, 14

22. Us9650362, 14

23. (5s)-1-(1h-benzimidazol-5-yl)-5-(4- Propoxyphenyl)imidazolidin-2-one

24. (s)-1-(1h- Benzo[d]imidazol-5-yl)-5-(4- Propoxyphenyl)imidazolidin- 2-one

2.4 Create Date

2011-04-18

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₂₀N₄O₂
Molecular Weight	336.4 g/mol
XLogP3	2.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	336.15862589 g/mol
Monoisotopic Mass	336.15862589 g/mol
Topological Polar Surface Area	70.2 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	466
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1