7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-ol hydrobromide

• ChemBase ID: 105372
• Molecular Formular: C16H26BrNO
• Molecular Mass: 328.28774
• Monoisotopic Mass: 327.11977646
• SMILES: Br.CCCN(CCC)C1CCc2c(C1)cc(O)cc2
• Canonical SMILES: CCCN(C1CCc2c(C1)cc(cc2)O)CCC.Br
• InChI: InChI=1S/C16H25NO.BrH/c1-3-9-17(10-4-2)15-7-5-13-6-8-16(18)12-14(13)11-15;/h6,8,12,15,18H,3-5,7,9-11H2,1-2H3;1H
• InChIKey: ODNDMTWHRYECKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-ol hydrobromide
• IUPAC Traditional name: 7-OH-dpat hydrobromide
• Synonyms: (±)-7-Hydroxy-DPAT hydrobromide; (±)-7-OH-DPAT hydrobromide; (±)-7-Hydroxy-2-(di-n-propylamino)tetralin hydrobromide; (±)-7-OH-DPAT; (±)-7-HYDROXY-2-DIPROPYLAMINOTETRALIN HYDROBROMIDE; R(+)-2-Dipropylamino-7-hydroxy-1,2,3,4-tetrahydronaphthalene hydrobromide; R(+)-7-Hydroxy(dipropylamino)tetralin hydrobromide; R(+)-7-Hydroxy-DPAT hydrobromide; (±)-7-hydroxy-dpat hydrobromide; (±)-2-二丙氨基-7-羟基-1,2,3,4-四氢萘 氢溴酸盐; (±)-7-羟基-dpat 氢溴酸盐

Database IDs

• CAS Number: 94938-11-7; 74938-11-7; 159795-63-8; 82730-72-1
• MDL Number: MFCD00153809
• PubChem SID: 24278481; 24277938; 162092498
• PubChem CID: 11957566

CALCULATED PROPERTIES

• Acid pKa: 10.027427
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.71101534
• LogD (pH = 7.4): 1.1492963
• Log P: 3.2832425
• Molar Refractivity: 77.4626 cm^3
• Polarizability: 30.018217 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: ethanol: >56 mg/mL; H2O: >100 mg/mL; H2O: >15 mg/mL
• Apperance: white solid

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves; Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: 2-8°C

Pharmacology Properties

• Gene Information: human ... DRD3(1814)

Product Information

• Purity: >98%; 98%

DETAILS

MP Biomedicals - 02159936

Hydrobromide
Purity: 98%
Selective agonist for D₃ dopamine

Sigma Aldrich - H8653

Biochem/physiol Actions
A selective D3 dopamine receptor agonist (Kd <1nM); has much weaker affinity for other dopamine receptor subtypes.

Sigma Aldrich - H168

Biochem/physiol Actions
Selective D3 dopamine receptor agonist; active enantiomer of (±)-7-hydroxy-DPAT.
Caution
Photosensitive

REFERENCES

• Zhuang, Z.P., et al., J. Med. Chem. , 36 : 1499, (1993).