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Talsupram hydrochloride

CAT: 0607-B7656-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B7656-10Size:10 mg
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Description
noradrenalin re-uptake inhibitor
CAS Number
25487-28-9
Product Name Alternative
(R)-3-(3,3-dimethyl-1-phenyl-1,3-dihydrobenzo[c]thiophen-1-yl)-N-methylpropan-1-aminium chloride
Field of Research
GPCR G protein Adrenergic Transporters
Purity
0.98
Form
White solid
Solubility
<34.8mg/ml in DMSO; <6.96mg/ml in H2O
Smiles
CC1(C)S[C@](CCC[NH2+]C)(C2=CC=CC=C2)C3=CC=CC=C13.[Cl-]
Molecular Formula
C20H25NS·HCl
Molecular Weight
347.95
Shipping Conditions
Blue ice
Storage Conditions
Desiccate at RT.

Chemical Information

Talsupram hydrochloride
CAS Number25487-28-9
PubChem CID69889594
IUPAC Name3-(3,3-dimethyl-1-phenyl-2-benzothiophen-1-yl)-N-methylpropan-1-amine;hydrochloride
Molecular FormulaC20H26ClNS
Molecular Weight347.9
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity361
SMILES
CC1(C2=CC=CC=C2C(S1)(CCCNC)C3=CC=CC=C3)C.Cl
InChI
InChI=1S/C20H25NS.ClH/c1-19(2)17-12-7-8-13-18(17)20(22-19,14-9-15-21-3)16-10-5-4-6-11-16;/h4-8,10-13,21H,9,14-15H2,1-3H3;1H
InChIKey
YMZCMCDSCRSIBS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Talsupram hydrochloride
CAS: 25487-28-9
CID: 69889594
Formula: C20H26ClNS
MW: 347.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight347.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass347.1474487
Monoisotopic Mass347.1474487
Topological Polar Surface Area37.3 Ų
Heavy Atom Count23
Formal Charge0
Complexity361
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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