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NO 756

CAT: 0013-GTR19208216-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19208216-01Size:25 mg
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Description
NO 756
CAS Number
123424-57-7
Smiles
CN1CCc2cc (Cl) ccc2C (C1) c1cccc2CCOc12
Molecular Formula
C19H20ClNO
Molecular Weight
313.825
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

NO 756

a D1 dopamine receptor antagonist

CAS Number123424-57-7
PubChem CID129967
IUPAC Name8-chloro-5-(2,3-dihydro-1-benzofuran-7-yl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepine
Molecular FormulaC19H20ClNO
Molecular Weight313.8
XLogP4.3
Topological Polar Surface Area12.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count22
Formal Charge0
Complexity390
SMILES
CN1CCC2=C(C=CC(=C2)Cl)C(C1)C3=CC=CC4=C3OCC4
InChI
InChI=1S/C19H20ClNO/c1-21-9-7-14-11-15(20)5-6-16(14)18(12-21)17-4-2-3-13-8-10-22-19(13)17/h2-6,11,18H,7-10,12H2,1H3
InChIKey
MAUFEMWATYGIAF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of NO 756
CAS: 123424-57-7
CID: 129967
Formula: C19H20ClNO
MW: 313.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight313.8
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass313.1233420
Monoisotopic Mass313.1233420
Topological Polar Surface Area12.5 Ų
Heavy Atom Count22
Formal Charge0
Complexity390
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
GTR19241216-01AH 7563

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