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BW 723C86 hydrochloride

CAT: 0607-B6574-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-B6574-50Size:50 mg
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Description
5-HT2B agonist
CAS Number
160521-72-2
Product Name Alternative
(R)-1-(5-(thiophen-2-ylmethoxy)-1H-indol-3-yl)propan-2-amine hydrochloride
Field of Research
GPCR G protein 5-HT Receptor
Purity
0.98
Form
A crystalline solid
Solubility
Soluble in DMSO
Smiles
N[C@H](C)CC(C1=C2)=CNC1=CC=C2OCC3=CC=CS3.Cl
Molecular Formula
C16H18N2OS·HCl
Molecular Weight
322.85
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

BW-723C86
CAS Number160521-72-2
PubChem CID5311036
IUPAC Name1-[5-(thiophen-2-ylmethoxy)-1H-indol-3-yl]propan-2-amine;hydrochloride
Molecular FormulaC16H19ClN2OS
Molecular Weight322.9
Topological Polar Surface Area79.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count21
Formal Charge0
Complexity315
SMILES
CC(CC1=CNC2=C1C=C(C=C2)OCC3=CC=CS3)N.Cl
InChI
InChI=1S/C16H18N2OS.ClH/c1-11(17)7-12-9-18-16-5-4-13(8-15(12)16)19-10-14-3-2-6-20-14;/h2-6,8-9,11,18H,7,10,17H2,1H3;1H
InChIKey
PYJBJMIBANAOFJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of BW-723C86
CAS: 160521-72-2
CID: 5311036
Formula: C16H19ClN2OS
MW: 322.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight322.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass322.0906621
Monoisotopic Mass322.0906621
Topological Polar Surface Area79.3 Ų
Heavy Atom Count21
Formal Charge0
Complexity315
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

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