Basic information
- CAS
185243-78-1- Standard SMILES
C[C@H](O)[C@H](O)[C@H]1CNc2nc(N)nc(N)c2N1- InChIKey
NDSDGUULXHNXGA-RPDRRWSUSA-N- Molecular formula
- C9H16N6O2
- Average molar mass
- 240.26 g/mol
- Monoisotopic mass
- 240.13347377
Overview
Ronopterin has been used in trials studying the treatment of Traumatic Brain Injury.
Names & identifiers
- Preferred name
- Ronopterin
- IUPAC
- (1R,2S)-1-[(6R)-2,4-diamino-5,6,7,8-tetrahydropteridin-6-yl]propane-1,2-diol
Names & synonyms
Ronopterin4-aminotetrahydrobiopterin185243-78-1ronopterinaronopterineVAS203VAS-203RONOPTERIN, (6R)-1D1Z87AY23(1R,2S)-1-[(6R)-2,4-diamino-5,6,7,8-tetrahydropteridin-6-yl]propane-1,2-diolDTXSID90403941,2-Propanediol, 1-(2,4-diamino-1,5,6,7-tetrahydro-6-pteridinyl)-, (1R,2S)-
Show more names
1,2-Propanediol, 1-(2,4-diamino-5,6,7,8-tetrahydro-6-pteridinyl)-, (1R,2S)-(1R,2S)-1-((6R)-2,4-DIAMINO-5,6,7,8-TETRAHYDROPTERIDIN-6-YL)PROPANE-1,2-DIOLronopterinumRefChem:179809DTXCID7020394VAS 203Ronopterin [INN](1R,2S)-1-((R)-2,4-Diamino-5,6,7,8-tetrahydropteridin-6-yl)propane-1,2-diol
Database identifiers
- CAS
185243-78-1- PubChem CID
- 5287516
- DTXSID
DTXSID9040394- ChEMBL
CHEMBL1230245- UNII
- 1D1Z87AY23
- Nikkaji
- J1.377.551F
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 268
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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