Iodocyanopindolol

Iodocyanopindolol
Clinical data
ATC code	none;
Identifiers
	IUPAC name (RS)-4-[3-[(1,1-Dimethylethyl)amino]-2-hydroxypropoxy]-3-iodo-1H-indole-2-carbonitrile;
CAS Number	85124-14-7 ;
PubChem CID	68618;
IUPHAR/BPS	7583;
ChemSpider	162764;
UNII	JG83U2H5YQ;
ChEBI	CHEBI:73370 ;
ChEMBL	ChEMBL210309;
CompTox Dashboard (EPA)	DTXSID501001074 DTXSID901003484, DTXSID501001074 ;
Chemical and physical data
Formula	C16H20IN3O2
Molar mass	413.259 g·mol−1
3D model (JSmol)	Interactive image;
Chirality	Racemic mixture
	SMILES IC1=C(C#N)NC2=CC=CC(OCC(CNC(C)(C)C)O)=C21;
	InChI InChI=1S/C16H20IN3O2/c1-16(2,3)19-8-10(21)9-22-13-6-4-5-11-14(13)15(17)12(7-18)20-11/h4-6,10,19-21H,8-9H2,1-3H3; Key:JBLUMBNIBNHRSO-UHFFFAOYSA-N;
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Iodocyanopindolol (INN) is a drug related to pindolol which acts as both a β₁ adrenoreceptor antagonist and a 5-HT_1A receptor antagonist. Its ¹²⁵I radiolabelled derivative has been widely used in mapping the distribution of beta adrenoreceptors in the body.^[1]

Clinical data


ATC code	none
Identifiers
IUPAC name (RS)-4-[3-[(1,1-Dimethylethyl)amino]-2-hydroxypropoxy]-3-iodo-1H-indole-2-carbonitrile
CAS Number	85124-14-7^Y
PubChem CID	68618
IUPHAR/BPS	7583
ChemSpider	162764
UNII	JG83U2H5YQ
ChEBI	CHEBI:73370^N
ChEMBL	ChEMBL210309
CompTox Dashboard (EPA)	DTXSID501001074 DTXSID901003484, DTXSID501001074
Chemical and physical data
Formula	C₁₆H₂₀IN₃O₂
Molar mass	413.259 g·mol⁻¹
3D model (JSmol)	Interactive image
Chirality	Racemic mixture
SMILES IC1=C(C#N)NC2=CC=CC(OCC(CNC(C)(C)C)O)=C21
InChI InChI=1S/C16H20IN3O2/c1-16(2,3)19-8-10(21)9-22-13-6-4-5-11-14(13)15(17)12(7-18)20-11/h4-6,10,19-21H,8-9H2,1-3H3 Key:JBLUMBNIBNHRSO-UHFFFAOYSA-N
^NY (what is this?) (verify)