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TISCH

CAT: 0013-GTR19196316-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19196316-03Size:100 mg
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Description
TISCH is a potent and selective iodinated compound targeting the central nervous system D1 dopamine receptor. It is a valuable research tool for studying D1 receptor localization and function in both in vitro binding assays and in vivo neuroimaging and behavioral experiments.
CAS Number
131615-52-6
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
OC=1C=C2[C@H] (CN (C) CCC2=CC1Cl) C3=CC (I) =CC=C3
Molecular Formula
C17H17ClINO
Molecular Weight
413.68
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (R)-
CAS Number131615-52-6
PubChem CID14880698
IUPAC Name(5R)-8-chloro-5-(3-iodophenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
Molecular FormulaC17H17ClINO
Molecular Weight413.7
XLogP4.6
Topological Polar Surface Area23.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count21
Formal Charge0
Complexity356
SMILES
CN1CCC2=CC(=C(C=C2[C@H](C1)C3=CC(=CC=C3)I)O)Cl
InChI
InChI=1S/C17H17ClINO/c1-20-6-5-12-8-16(18)17(21)9-14(12)15(10-20)11-3-2-4-13(19)7-11/h2-4,7-9,15,21H,5-6,10H2,1H3/t15-/m1/s1
InChIKey
DUTJKDUWCSYNLM-OAHLLOKOSA-N
Chemical Structure
2D Structure
2D structure of 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (R)-
CAS: 131615-52-6
CID: 14880698
Formula: C17H17ClINO
MW: 413.7
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight413.7
XLogP34.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass413.00434
Monoisotopic Mass413.00434
Topological Polar Surface Area23.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity356
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-116450TISCH

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