Chemistry:Almokalant

Almokalant
Clinical data
ATC code	None;
Identifiers
	IUPAC name 4-(3-{Ethyl[3-(propane-1-sulfinyl)propyl]amino}-2-hydroxypropoxy)benzonitrile;
CAS Number	123955-10-2 ;
PubChem CID	3033962;
ChemSpider	2298526 ;
UNII	I9NG89L275;
ChEMBL	ChEMBL362103 ;
Chemical and physical data
Formula	C18H28N2O3S
Molar mass	352.49 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES O=S(CCC)CCCN(CC)CC(O)COc1ccc(C#N)cc1;
	InChI InChI=1S/C18H28N2O3S/c1-3-11-24(22)12-5-10-20(4-2)14-17(21)15-23-18-8-6-16(13-19)7-9-18/h6-9,17,21H,3-5,10-12,14-15H2,1-2H3 ; Key:ZMHOBBKJBYLXFR-UHFFFAOYSA-N ;
	(verify)

Short description: Chemical compound

Almokalant is a drug used to treat arrhythmia.^[1] It is a potassium channel blocker.^[1] It has been found to have teratogenic effects in rats.^[2]

References

↑ ^1.0 ^1.1 "Torsades de pointes with Almokalant, a new class III antiarrhythmic drug". American Heart Journal 126 (4): 1008–1011. October 1993. doi:10.1016/0002-8703(93)90726-p. PMID 8213422.
↑ "Teratogenicity of the class III antiarrhythmic drug almokalant. Role of hypoxia and reactive oxygen species". Reproductive Toxicology 13 (2): 93–101. 1999-04-01. doi:10.1016/s0890-6238(98)00066-5. PMID 10213516.

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Clinical data

ATC code	None
Identifiers
IUPAC name 4-(3-{Ethyl[3-(propane-1-sulfinyl)propyl]amino}-2-hydroxypropoxy)benzonitrile
CAS Number	123955-10-2^Y
PubChem CID	3033962
ChemSpider	2298526^Y
UNII	I9NG89L275
ChEMBL	ChEMBL362103^Y
Chemical and physical data
Formula	C₁₈H₂₈N₂O₃S
Molar mass	352.49 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES O=S(CCC)CCCN(CC)CC(O)COc1ccc(C#N)cc1
InChI InChI=1S/C18H28N2O3S/c1-3-11-24(22)12-5-10-20(4-2)14-17(21)15-23-18-8-6-16(13-19)7-9-18/h6-9,17,21H,3-5,10-12,14-15H2,1-2H3^Y Key:ZMHOBBKJBYLXFR-UHFFFAOYSA-N^Y
(verify)