Basic information
- CAS
31363-74-3- Standard SMILES
NCCc1c[nH]c2c(O)cc(O)cc12- InChIKey
LXWHQTNFZDTKBH-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 7. It is a neurotoxic serotonin analog that destroys serotonergic neurons preferentially and is used in neuropharmacology as a tool.
Names & identifiers
- Preferred name
- 3-(2-aminoethyl)-1H-indole-5,7-diol
- IUPAC
- 3-(2-aminoethyl)-1H-indole-5,7-diol
- English name
- 3-(2-aminoethyl)-1H-indole-5,7-diol
- Molecular formula
- C10H12N2O2
- Molecular weight
- 192.21
Names & synonyms
5,7-DIHYDROXYTRYPTAMINE3-(2-Aminoethyl)-1H-indole-5,7-diol31363-74-31H-Indole-5,7-diol, 3-(2-aminoethyl)-Y4K1D1H82SDTXSID001852855,7 Dihydroxytryptamine5,7 Dihydroxytryptamine Creatine SulfateCreatine Sulfate, 5,7-DihydroxytryptamineSulfate, 5,7-Dihydroxytryptamine CreatineRefChem:101382DTXCID10107776
Show more names
7-Hydroxyserotonin5,7-Dihydroxytryptamine hydrobromide3-(2-aminoethyl)-1H-indole-5,7-diol HBr3-(2-aMinoethyl)-1H-indole-5,7-diol HCl salt5,7-Dihydroxytryptamine hydrobromide[SML2058]
250-591-6CHEMBL26726EINECS 250-591-6UNII-Y4K1D1H82S5,7-DHTLXWHQTNFZDTKBH-UHFFFAOYSA-NSCHEMBL1196785BDBM50470803
Database identifiers
- CAS
31363-74-3- PubChem CID
- 35781
- DTXSID
Properties
Computed structural properties
- XLogP
- 0.7
- 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
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 479.6 · 479.6±30.0 °C(Predicted)
- Density
- 1.421 · 1.421±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- 2 O: · H2O: 2 mg/mL, clear
- pka
- 9.84 · 9.84±0.40(Predicted)
- form
- powder
- color
- white to dark brown
- Water Solubility
- 2 O: · H2O: 2mg/mL, clear
- InChI
- 1S/C10H12N2O2/c11-2-1-6-5-12-10-8(6)3-7(13)4-9(10)14/h3-5,12-14H,1-2,11H2
- InChIKey
- LXWHQTNFZDTKBH-UHFFFAOYSA-N
- SMILES
- NCCC1=CNC2=C(O)C=C(O)C=C21.[H]Br
- FDA UNII
- 4 K1D1H82S · Y4K1D1H82S
- UNSPSC Code
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- Storage Class
- 11 - Combustible Solids
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.
Suppliers12 total
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
Syntechem Co.,Ltd[email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
上海贺康生物技术有限公司17721021104 18939837085 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
苏州法安德医药科技有限公司17712611081 · [email protected]
湖北奕化新材料科技有限公司17754433341 18086038039 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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