Imeglimin Hydrochloride

Synopsis, Chemistry

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Also known as: 775351-61-6, Imeglimin (hydrochloride), Imeglimin hcl, Imeglimin monohydrochloride, Mn7p3p5byb, Emd 387008 hydrochloride

Molecular Formula

C₆H₁₄ClN₅

Molecular Weight

191.66 g/mol

InChI Key

UXHLCYMTNMEXKZ-PGMHMLKASA-N

FDA UNII

MN7P3P5BYB

1 2D Structure

Imeglimin Hydrochloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(4R)-6-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;hydrochloride

2.1.2 InChI

InChI=1S/C6H13N5.ClH/c1-4-8-5(7)10-6(9-4)11(2)3;/h4H,1-3H3,(H3,7,8,9,10);1H/t4-;/m1./s1

2.1.3 InChI Key

UXHLCYMTNMEXKZ-PGMHMLKASA-N

2.1.4 Canonical SMILES

CC1N=C(NC(=N1)N(C)C)N.Cl

2.1.5 Isomeric SMILES

C[C@@H]1N=C(NC(=N1)N(C)C)N.Cl

2.2 Other Identifiers

2.2.1 UNII

MN7P3P5BYB

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 775351-61-6

2. Imeglimin (hydrochloride)

3. Imeglimin Hcl

4. Imeglimin Monohydrochloride

5. Mn7p3p5byb

6. Emd 387008 Hydrochloride

7. Imeglimin Hydrochloride [jan]

8. Imeglimin Hydrochloride [who-dd]

9. Imeglimin Hydrochloride (jan)

10. (4r)-6-n,6-n,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;hydrochloride

11. 1,3,5-triazine-2,4-diamine, 3,6-dihydro-n2,n2,6-trimethyl-, Hydrochloride (1:1), (6r)-

12. 2650481-44-8

13. R-imeglimin Hydrochloride

14. Unii-mn7p3p5byb

15. Schembl2157885

16. (r)-n2,n2,6-trimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine Hydrochloride

17. Bcp11078

18. Hy-14771a

19. Mfcd28167741

20. Akos037643759

21. As-35168

22. D11807

23. A914496

24. Emd 387008 Hydrochloride;emd387008 Hydrochloride;emd-387008 Hydrochloride

2.4 Create Date

2012-01-16

3 Chemical and Physical Properties

Molecular Formula	C₆H₁₄ClN₅
Molecular Weight	191.66 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	191.0937732 g/mol
Monoisotopic Mass	191.0937732 g/mol
Topological Polar Surface Area	66 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	205
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	2