8-OH-Dpat

HCID 1220

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Basic information

CAS: 78950-78-4
Standard SMILES: CCCN(CCC)C1CCc2cccc(O)c2C1
InChIKey: ASXGJMSKWNBENU-UHFFFAOYSA-N
Molecular formula: C16H25NO
Average molar mass: 247.38 g/mol
Monoisotopic mass: 247.19361442

Names & identifiers

Preferred name: 8-OH-Dpat
IUPAC: 7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
English name: S(-)-8-hydroxy-dpat hydrobromide partial 5-HT1A secrot
Molecular formula: C16H25NO
Molecular weight: 247.38

Names & synonyms

8-OH-Dpat78950-78-48-HYDROXY-2-(DI-n-PROPYLAMINO)TETRALIN8-Hydroxy-DPAT7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol1-Naphthalenol, 7-(dipropylamino)-5,6,7,8-tetrahydro-dl-8-Hydroxy-2-(dipropylamino)tetralinIWS1724PX6DTXSID30897384CHEBI:73364RefChem:388762DTXCID00834185

Show more names

3-(dipropylamino)tetralin-5-ol7-(dipropylamino)tetralin-1-ol2-(Dipropylamino)tetralin-8-ol8-OH-DPAT (8-Hydroxy-DPAT) ，S8447S(-)-8-Hydroxy-DPAT hydrobromide solidS(-)-8-HYDROXY-DPATHYDROBROMIDEPARTIAL5-HT1A5,6,7,8-Tetrahydro-7-(dipropylamino)naphthalen-1-ol

DPATCHEMBL561-Naphthalenol,7-(dipropylamino)-5,6,7,8-tetrahydro-8-OH-DPAT (8-Hydroxy-DPAT)7-(Dipropylamino)-5,6,7,8-tetrahydro-1-naphthalenol[3H]-8-OH-DPAT80300-09-07-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol hydrobromide

Database identifiers

CAS: 78950-78-4
PubChem CID: 1220
DTXSID: DTXSID30897384
ChEMBL: CHEMBL56
ChEBI: CHEBI:73364
UNII: IWS1724PX6
Nikkaji: J247.110H、J353.760I

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 23.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 18
Formal charge: 0
Complexity: 237

Physicochemical properties

Boiling point: 372.5 · 372.5±42.0 °C(Predicted)
Density: 1.03 · 1.03±0.1 g/cm3(Predicted)
storage temp.: -20 °C · Store at -20°C
solubility: 150 mg/ml · 150mg/ml in DMSO
form: solid
pka: 10.54 · 10.54±0.40(Predicted)
color: white
optical activity: 25 · [α]25/D 67.8° in methanol(lit.)
InChI: 1S/C16H25NO.BrH/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14;/h5-7,14,18H,3-4,8-12H2,1-2H3;1H/t14-;/m0./s1
InChIKey: BATPBOZTBNNDLN-UQKRIMTDSA-N
SMILES: Br.CCCN(CCC)[C@H]1CCc2cccc(O)c2C1
FDA UNII: 1724 PX6 · IWS1724PX6
UNSPSC Code: 12352200 · 12352200
NACRES: 77 · NA.77
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Safety Statements: 22 · 22-24/25
WGK Germany: 3 · 3
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
safety_code: 22-24/25
Storage Class: 11 - Combustible Solids

Chemistry & industry

Pharmacology

MeSH Pharmacological ClassificationEndogenous compounds and drugs that bind to and activate SEROTONIN RECEPTORS. Many serotonin receptor agonists are used as ANTIDEPRESSANTS; ANXIOLYTICS; and in the treatment of MIGRAINE DISORDERS.

Applications

Uses8-OH-DPAT, is a potent and selective 5-HT agonist.

Upstream & downstream products

Upstream raw materials

8-Methoxy-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine hydrochloride 8-Methoxy-2-tetralone 8-methoxy-2-(di-n-propylamino)tetralin Dipropylamine

Suppliers54 total

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]

成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]

武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]

Additional notes

DefinitionChEBI: A tetralin substituted at positions 1 and 7 by hydroxy and dipropylamino groups respectively

Related reactions

2 records

New reaction record

HRID 1789945As reactantuspto-grants-2006_07

HRID 2417786As reactantuspto-grants-1984_09

Compound notes

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