Compound Summary
(6R)-5,6,7,8-Tetrahydro-L-biopterin hydrochloride
Compound Information
(6R)-5,6,7,8-Tetrahydro-L-biopterin hydrochloride
Compound Name: | (6R)-5,6,7,8-Tetrahydro-L-biopterin hydrochloride |
Compound CID: | 135444567 |
Synonyms: | (6R)-5,6,7,8-Tetrahydro-L-biopterin hydrochloride THB, 2HCl Tetrahydro-L-biopterin, Dihydrochloride SCHEMBL21046203 Tox21_501167 More... |
Iupac Name: | (6R)-2-amino-6-(1,2-dihydroxypropyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;dihydrochloride |
InChI: | InChI=1S/C9H15N5O3.2ClH/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7;;/h3-4,6,12,15-16H,2H2,1H3,(H4,10,11,13,14,17);2*1H/t3?,4-,6?;;/m1../s1 |
InChIKey: | RKSUYBCOVNCALL-NEMDEWBNSA-N |
Canonical Smiles: | CC(C(C1CNC2=C(N1)C(=O)NC(=N2)N)O)O.Cl.Cl |
Isomeric Smiles: | CC(C([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O.Cl.Cl |
Molecular Weight: | 314.17 |
Molecular Formula: | C9H17Cl2N5O3 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
(6R)-5,6,7,8-Tetrahydro-L-biopterin hydrochloride
Molecular Weight: | 314.17 |
Molecular Formula: | C9H17Cl2N5O3 |
Hydrogen Bond Donor Count: | 8 |
Hydrogen Bond Acceptor Count: | 6 |
Rotatable Bond Count: | 2 |
Heavy Atom Count: | 19 |
Complexity: | 405 |
Synonyms
(6R)-5,6,7,8-Tetrahydro-L-biopterin hydrochloride
| (6R)-5,6,7,8-Tetrahydro-L-biopterin hydrochloride | (6R)-5,6,7,8-Tetrahydro-L-biopterin hydrochloride |
|---|---|
(6R)-5,6,7,8-Tetrahydro-L-biopterin hydrochloride |
THB, 2HCl |
Tetrahydro-L-biopterin, Dihydrochloride |
SCHEMBL21046203 |
Tox21_501167 |
CCG-222471 |
LP01167 |
NCGC00261852-01 |
EU-0101167 |
T 4425 |
SR-01000075391 |
SR-01000075391-1 |
Experimental Data
(6R)-5,6,7,8-Tetrahydro-L-biopterin hydrochloride
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33.000000000000000 | umol/L | 4.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
(6R)-5,6,7,8-Tetrahydro-L-biopterin hydrochloride
Statistics Data
(6R)-5,6,7,8-Tetrahydro-L-biopterin hydrochloride
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 4.000000000000000 | 1 | 1 |
Statistics Data Visualization
(6R)-5,6,7,8-Tetrahydro-L-biopterin hydrochloride
