25B-NBOH hydrochloride

CAT: 0013-GTR19249801-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19249801-01Size:1 mg

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Description

25B-NBOH hydrochloride is a potent serotonin receptor ligand with high affinity for 5-HT2A (pKi 8.3) and 5-HT2C (pKi 9.4) receptors. It is used in neuroscience research to study receptor function and pharmacology in both in vitro binding assays and in vivo behavioral models.

CAS Number

1539266-16-4

Field of Research

Neuroscience, Pharmacology & Drug Discovery

Smiles

Cl.BrC=1C=C (OC) C (=CC1OC) CCNCC=2C=CC=CC2O

Molecular Formula

C17H21BrClNO3

Molecular Weight

402.711

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

25B-NBOH (hydrochloride)

CAS Number	1539266-16-4
PubChem CID	137699640
IUPAC Name	2-[[2-(4-bromo-2,5-dimethoxyphenyl)ethylamino]methyl]phenol;hydrochloride
Molecular Formula	C17H21BrClNO3
Molecular Weight	402.7
Topological Polar Surface Area	50.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Heavy Atom Count	23
Formal Charge	0
Complexity	318

SMILES

COC1=CC(=C(C=C1CCNCC2=CC=CC=C2O)OC)Br.Cl

InChI

InChI=1S/C17H20BrNO3.ClH/c1-21-16-10-14(18)17(22-2)9-12(16)7-8-19-11-13-5-3-4-6-15(13)20;/h3-6,9-10,19-20H,7-8,11H2,1-2H3;1H

InChIKey

POIOFOVTMBOTDN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1539266-16-4

CID: 137699640

Formula: C17H21BrClNO3

MW: 402.7

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	402.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	401.03933
Monoisotopic Mass	401.03933
Topological Polar Surface Area	50.7 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	318
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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25B-NBOH hydrochloride

Chemical Information

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