CAS 71636-61-8|(±)-6-Chloro-PB hydrobromide|6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol hydrobromide|(±)-6-Chloro-7,8-dihydroxy-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine hydr...

Molecular Formula

C₁₆H₁₇BrClNO₂

Molecular Mass

370.66868

Exact Mass

369.01311847

InChI

InChI=1S/C16H16ClNO2.BrH/c17-15-11-6-7-18-9-13(10-4-2-1-3-5-10)12(11)8-14(19)16(15)20;/h1-5,8,13,18-20H,6-7,9H2;1H

InChIKey

RMIJGBMRNYUZRG-UHFFFAOYSA-N

Canonic Smiles

Oc1c(O)cc2c(c1Cl)CCNCC2c1ccccc1.Br

Isomeric Smiles

c1ccc(cc1)C1CNCCc2c1cc(c(c2Cl)O)O.Br

JChem

Acid pKa

8.121014

H Acceptors

H Donor

LogD (pH = 5.5)

0.26194495

LogD (pH = 7.4)

1.5638976

Log P

2.2646222

Molar Refractivity

80.7038

Polarizability

31.021591

Polar Surface Area

52.49

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

Commercial Catalog

Synonyms

(±)-6-Chloro-PB hydrobromide(±)-6-Chloro-7,8-dihydroxy-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine hydrobromide(±)-SKF-81297 hydrobromide

IUPAC name

6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol hydrobromide

IUPAC Traditional name

6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol hydrobromide

CAS Number

MDL Number

PubChem SID

PubChem CID

Safety Information

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

German water hazard class

GHS Signal Word

Warning

GHS Hazard statements

H315-H319-H335

P261-P305+P351+P338

Irritant (Xi)

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

36/37/38

22-26-36

Physical Property

white to light tan solid

H2O: soluble1.7 mg/mL

DMSO: >10 mg/mL

ethanol: soluble6.3 mg/mL

Pharmacology Properties

human ... DRD1(1812)

Product Information

≥98% (HPLC)

No Data Available

Click here to submit data

No Data Available

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Sigma Aldrich

S143

Biochem/physiol Actions
(+/-)-6-Chloro-PB HBr is a full D1 dopamine receptor agonist.
Caution
Product is air and light sensitive

No Data Available

Click here to submit data

Academic Data

Commercial Catalog

Synonyms

(±)-6-Chloro-PB hydrobromide(±)-6-Chloro-7,8-dihydroxy-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine hydrobromide(±)-SKF-81297 hydrobromide

IUPAC name

6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol hydrobromide

IUPAC Traditional name

6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol hydrobromide

CAS Number

MDL Number

PubChem SID

PubChem CID

S143

Biochem/physiol Actions
(+/-)-6-Chloro-PB HBr is a full D1 dopamine receptor agonist.
Caution
Product is air and light sensitive

No Data Available

Click here to submit data

Safety Information

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

German water hazard class

GHS Signal Word

Warning

GHS Hazard statements

H315-H319-H335

P261-P305+P351+P338

Irritant (Xi)

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

36/37/38

22-26-36

Physical Property

white to light tan solid

H2O: soluble1.7 mg/mL

DMSO: >10 mg/mL

ethanol: soluble6.3 mg/mL

Pharmacology Properties

human ... DRD1(1812)

Product Information

≥98% (HPLC)

Molecule

ID:132871