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NNC 112

CAT: 0013-GTR19208260-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19208260-02Size:50 mg
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Description
NNC 112 is a potent and selective antagonist of the dopamine D1 receptor. It is widely used in neuroscience research to investigate D1 receptor function in both in vitro binding assays and in vivo models of cognition, locomotion, and neuropsychiatric disorders.
CAS Number
125341-24-4
Smiles
CN1C[C@@H] (C=2C (=CC (Cl) =C (O) C2) CC1) C3=C4C (=CC=C3) C=CO4
Molecular Formula
C19H18ClNO2
Molecular Weight
327.8
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Nnc 112

(5S)-5-(7-benzofuranyl)-8-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol is a benzazepine.

CAS Number125341-24-4
PubChem CID130424
IUPAC Name(5S)-5-(1-benzofuran-7-yl)-8-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
Molecular FormulaC19H18ClNO2
Molecular Weight327.8
XLogP4.4
Topological Polar Surface Area36.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count23
Formal Charge0
Complexity420
SMILES
CN1CCC2=CC(=C(C=C2[C@H](C1)C3=CC=CC4=C3OC=C4)O)Cl
InChI
InChI=1S/C19H18ClNO2/c1-21-7-5-13-9-17(20)18(22)10-15(13)16(11-21)14-4-2-3-12-6-8-23-19(12)14/h2-4,6,8-10,16,22H,5,7,11H2,1H3/t16-/m1/s1
InChIKey
RUSANBIFMAXXSJ-MRXNPFEDSA-N
Chemical Structure
2D Structure
2D structure of Nnc 112
CAS: 125341-24-4
CID: 130424
Formula: C19H18ClNO2
MW: 327.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight327.8
XLogP34.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass327.1026065
Monoisotopic Mass327.1026065
Topological Polar Surface Area36.6 Ų
Heavy Atom Count23
Formal Charge0
Complexity420
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

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