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Chemistry

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Also known as: Ronopterin, Ronopterin [inn], Vas203, 185243-78-1, Vas-203, 1d1z87ay23

Molecular Formula

C₉H₁₆N₆O₂

Molecular Weight

240.26 g/mol

InChI Key

NDSDGUULXHNXGA-RPDRRWSUSA-N

FDA UNII

1D1Z87AY23

Ronopterin has been used in trials studying the treatment of Traumatic Brain Injury.

1 2D Structure

Ronopterin

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(1R,2S)-1-[(6R)-2,4-diamino-5,6,7,8-tetrahydropteridin-6-yl]propane-1,2-diol

2.1.2 InChI

InChI=1S/C9H16N6O2/c1-3(16)6(17)4-2-12-8-5(13-4)7(10)14-9(11)15-8/h3-4,6,13,16-17H,2H2,1H3,(H5,10,11,12,14,15)/t3-,4+,6-/m0/s1

2.1.3 InChI Key

NDSDGUULXHNXGA-RPDRRWSUSA-N

2.1.4 Canonical SMILES

CC(C(C1CNC2=NC(=NC(=C2N1)N)N)O)O

2.1.5 Isomeric SMILES

C[C@@H]([C@@H]([C@H]1CNC2=NC(=NC(=C2N1)N)N)O)O

2.2 Other Identifiers

2.2.1 UNII

1D1Z87AY23

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 2,4-diamino-5,6,7,8-tetrahydro-6(1,2-dihydroxypropyl)pteridine

2. 4-amino-h4biopterin

3. 4-amino-tetrahydrobiopterin

4. Ronopterin

5. Vas203

2.3.2 Depositor-Supplied Synonyms

1. Ronopterin

2. Ronopterin [inn]

3. Vas203

4. 185243-78-1

5. Vas-203

6. 1d1z87ay23

7. (1r,2s)-1-[(6r)-2,4-diamino-5,6,7,8-tetrahydropteridin-6-yl]propane-1,2-diol

8. 1,2-propanediol, 1-(2,4-diamino-1,5,6,7-tetrahydro-6-pteridinyl)-, (1r,2s)-

9. 1,2-propanediol, 1-(2,4-diamino-5,6,7,8-tetrahydro-6-pteridinyl)-, (1r,2s)-

10. (1r,2s)-1-((r)-2,4-diamino-5,6,7,8-tetrahydropteridin-6-yl)propane-1,2-diol

11. Unii-1d1z87ay23

12. (1r,2s)-1-((6r)-2,4-diamino-5,6,7,8-tetrahydropteridin-6-yl)propane-1,2-diol

13. 4-amino-h4biopterin

14. 4-amino 5,6,7,8-tetrahydrobiopterin

15. Ronopterin [who-dd]

16. Ronopterin, (6r)-

17. Chembl1230245

18. Dtxsid9040394

19. Db12575

20. (1r,2s)-1-((6r)-2,4-diamino-5,6,7,8-tetrahydropteridin- 6-yl)propane-1,2-diol

21. 1,2-propanediol, 1-((6r)-2,4-diamino-5,6,7,8-tetrahydro-6-pteridinyl)-, (1r,2s)-

22. 2,4-diamino-6-[2,3-dihydroxy-prop-3-yl]-5,6,7,8-tetrahydropteridine

23. Q27252260

24. 2,4-diamino-5,6,7,8-tetrahydro-6(1,2-dihydroxypropyl)pteridine

25. (1r,2s)-1-(2,4-diamino-5,6,7,8-tetrahydro-6-pteridinyl)-1,2-propanediol

26. (6r)-2,4-diamino-5,6,7,8-tetrahydro-6-(-erythro-1,2-dihydroxypropyl)pteridine

27. (6r)-2,4-diamino-6beta-[(1r,2s)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydropteridine

2.4 Create Date

2005-11-29

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₆N₆O₂
Molecular Weight	240.26 g/mol
XLogP3	-1.2
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	2
Exact Mass	240.13347377 g/mol
Monoisotopic Mass	240.13347377 g/mol
Topological Polar Surface Area	142 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	268
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1