Cyanopindolol

Cyanopindolol
Clinical data
ATC code	none;
Identifiers
	IUPAC name (RS)-4-[3-(tert-Butylamino)-2-hydroxypropoxy]-1H-indole-2-carbonitrile;
CAS Number	69906-85-0 ;
PubChem CID	155346;
IUPHAR/BPS	132;
ChemSpider	136847 ;
UNII	4K0SD5SNFS;
ChEMBL	ChEMBL378501 ;
PDB ligand	P32 (PDBe, RCSB PDB);
CompTox Dashboard (EPA)	DTXSID201027570 ;
Chemical and physical data
Formula	C16H21N3O2
Molar mass	287.363 g·mol−1
3D model (JSmol)	Interactive image;
Chirality	Racemic mixture
	SMILES N#CC1=CC2=C(OCC(CNC(C)(C)C)O)C=CC=C2N1;
	InChI InChI=1S/C16H21N3O2/c1-16(2,3)18-9-12(20)10-21-15-6-4-5-14-13(15)7-11(8-17)19-14/h4-7,12,18-20H,9-10H2,1-3H3 ; Key:QXIUMMLTJVHILT-UHFFFAOYSA-N ;
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Cyanopindolol is a drug related to pindolol which acts as both a β₁ adrenoceptor antagonist and a 5-HT_1A receptor antagonist. Its radiolabelled derivative iodocyanopindolol has been widely used in mapping the distribution of beta adrenoreceptors in the body.^[1]

^ Hoyer D, Engel G (1983). "Binding of 125I-cyanopindolol to beta-1-adrenoceptors in a high and low affinity state". Journal of Receptor Research. 3 (1–2): 45–59. doi:10.3109/10799898309041922. PMID 6304308.

Clinical data


ATC code	none
Identifiers
IUPAC name (RS)-4-[3-(tert-Butylamino)-2-hydroxypropoxy]-1H-indole-2-carbonitrile
CAS Number	69906-85-0^Y
PubChem CID	155346
IUPHAR/BPS	132
ChemSpider	136847^N
UNII	4K0SD5SNFS
ChEMBL	ChEMBL378501^N
PDB ligand	P32 (PDBe, RCSB PDB)
CompTox Dashboard (EPA)	DTXSID201027570
Chemical and physical data
Formula	C₁₆H₂₁N₃O₂
Molar mass	287.363 g·mol⁻¹
3D model (JSmol)	Interactive image
Chirality	Racemic mixture
SMILES N#CC1=CC2=C(OCC(CNC(C)(C)C)O)C=CC=C2N1
InChI InChI=1S/C16H21N3O2/c1-16(2,3)18-9-12(20)10-21-15-6-4-5-14-13(15)7-11(8-17)19-14/h4-7,12,18-20H,9-10H2,1-3H3^N Key:QXIUMMLTJVHILT-UHFFFAOYSA-N^N
^NY (what is this?) (verify)