Basic information
- CAS
5090-36-8- Standard SMILES
NCCc1c[nH]c2cc(O)c(O)cc12- InChIKey
SKOKLDQYOKPCPU-UHFFFAOYSA-N- Molecular formula
- C10H12N2O2
- Average molar mass
- 192.21 g/mol
- Monoisotopic mass
- 192.08987763
Overview
Tryptamine substituted with two hydroxyl groups in positions 5 and 6. It is a neurotoxic serotonin analog that destroys serotonergic neurons preferentially and is used in neuropharmacologic research.
Names & identifiers
- Preferred name
- 3-(2-aminoethyl)-1H-indole-5,6-diol
- IUPAC
- 3-(2-aminoethyl)-1H-indole-5,6-diol
- English name
- 3-(2-aminoethyl)-1H-indole-5,6-diol
- Molecular formula
- C10H12N2O2
- Molecular weight
- 192.21448
Names & synonyms
5,6-Dihydroxytryptamine3-(2-Aminoethyl)-1H-indole-5,6-diol5090-36-81H-Indole-5,6-diol, 3-(2-aminoethyl)-3-(2-Aminoethyl)indole-5,6-diolINDOLE-5,6-DIOL, 3-(2-AMINOETHYL)-W2QY253O8SDTXSID401989305,6 DihydroxytryptamineRefChem:101189DTXCID00121421225-810-3
Show more names
5,6-DHT3-(2-Aminoethyl)-1H-indole-5,6-diol creatinine sulfate
CHEMBL303916BRN 0475698EINECS 225-810-3UNII-W2QY253O8SSKOKLDQYOKPCPU-UHFFFAOYSA-N5-22-12-00350 (Beilstein Handbook Reference)SCHEMBL3807782FAA09036
Database identifiers
- CAS
5090-36-8- PubChem CID
- 21163
- DTXSID
DTXSID40198930- ChEMBL
CHEMBL303916- UNII
- W2QY253O8S
- EC Number
- 225-810-3
- Nikkaji
- J15.115G
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 82.3 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 201
Physicochemical properties
- Boiling point
- 471.9 · 471.9±40.0 °C(Predicted)
- Density
- 1.421 · 1.421±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- pka
- 9.92 · 9.92±0.40(Predicted)
- FDA UNII
- 2 QY253O8S · W2QY253O8S
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationDrugs used for their effects on serotonergic systems. Among these are drugs that affect serotonin receptors, the life cycle of serotonin, and the survival of serotonergic neurons.
Suppliers1 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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