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RS 17053 hydrochloride

CAT: 0607-B6532-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-B6532-5Size:5 mg
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Description
α1A-adrenoceptor antagonist, novel and selective
CAS Number
169505-93-5
Product Name Alternative
1-(5-chloro-1H-indol-3-yl)-N-(2-(2-(cyclopropylmethoxy)phenoxy)ethyl)-2-methylpropan-2-amine hydrochloride
Field of Research
GPCR G protein Adrenergic Receptor
Purity
0.98
Form
White solid
Solubility
insoluble in ethanol; <22.47mg/ml in DMSO
Smiles
CC(CC1=CNC2=C1C=C(Cl)C=C2)(NCCOC3=CC=CC=C3OCC4CC4)C.Cl
Molecular Formula
C24H29N2O2Cl·HCl
Molecular Weight
449.42
Shipping Conditions
Blue ice
Storage Conditions
Store at RT.

Chemical Information

RS-17053

RS 17053 hydrochloride is an organic molecular entity.

CAS Number169505-93-5
PubChem CID9824953
IUPAC Name1-(5-chloro-1H-indol-3-yl)-N-[2-[2-(cyclopropylmethoxy)phenoxy]ethyl]-2-methylpropan-2-amine;hydrochloride
Molecular FormulaC24H30Cl2N2O2
Molecular Weight449.4
Topological Polar Surface Area46.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count10
Heavy Atom Count30
Formal Charge0
Complexity513
SMILES
CC(C)(CC1=CNC2=C1C=C(C=C2)Cl)NCCOC3=CC=CC=C3OCC4CC4.Cl
InChI
InChI=1S/C24H29ClN2O2.ClH/c1-24(2,14-18-15-26-21-10-9-19(25)13-20(18)21)27-11-12-28-22-5-3-4-6-23(22)29-16-17-7-8-17;/h3-6,9-10,13,15,17,26-27H,7-8,11-12,14,16H2,1-2H3;1H
InChIKey
QFOPFGRPNPCPBX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of RS-17053
CAS: 169505-93-5
CID: 9824953
Formula: C24H30Cl2N2O2
MW: 449.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight449.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count10
Exact Mass448.1684336
Monoisotopic Mass448.1684336
Topological Polar Surface Area46.3 Ų
Heavy Atom Count30
Formal Charge0
Complexity513
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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