Diacetolol

Diacetolol
Clinical data
Routes of; administration	Oral
ATC code	none;
Legal status
Legal status	In general: ℞ (Prescription only);
Pharmacokinetic data
Elimination half-life	8-13 hours
Identifiers
	IUPAC name N-[3-acetyl-4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]acetamide;
CAS Number	22568-64-5;
PubChem CID	50894;
ChemSpider	46139 ;
UNII	4ER0CZ5G7C;
ChEMBL	ChEMBL2106189;
CompTox Dashboard (EPA)	DTXSID70865421 ;
ECHA InfoCard	100.040.974
Chemical and physical data
Formula	C16H24N2O4
Molar mass	308.378 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES O=C(Nc1ccc(OCC(O)CNC(C)C)c(c1)C(=O)C)C;
	InChI InChI=1S/C16H24N2O4/c1-10(2)17-8-14(21)9-22-16-6-5-13(18-12(4)20)7-15(16)11(3)19/h5-7,10,14,17,21H,8-9H2,1-4H3,(H,18,20) ; Key:AWOGXJOBNAWQSF-UHFFFAOYSA-N ;
	(verify)

Diacetolol is the primary metabolite of acebutolol. It is a beta blocker and anti-arrhythmic agent.^[1]

References

^ Basil B, Jordan R (May 1982). "Pharmacological properties of diacetolol (M & B 16,942), a major metabolite of acebutolol". European Journal of Pharmacology. 80 (1): 47–56. doi:10.1016/0014-2999(82)90176-5. PMID 6124437.

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Clinical data

Routes of administration	Oral
ATC code	none
Legal status
Legal status	In general: ℞ (Prescription only)
Pharmacokinetic data
Elimination half-life	8-13 hours
Identifiers
IUPAC name N-[3-acetyl-4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]acetamide
CAS Number	22568-64-5
PubChem CID	50894
ChemSpider	46139^Y
UNII	4ER0CZ5G7C
ChEMBL	ChEMBL2106189
CompTox Dashboard (EPA)	DTXSID70865421
ECHA InfoCard	100.040.974
Chemical and physical data
Formula	C₁₆H₂₄N₂O₄
Molar mass	308.378 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES O=C(Nc1ccc(OCC(O)CNC(C)C)c(c1)C(=O)C)C
InChI InChI=1S/C16H24N2O4/c1-10(2)17-8-14(21)9-22-16-6-5-13(18-12(4)20)7-15(16)11(3)19/h5-7,10,14,17,21H,8-9H2,1-4H3,(H,18,20)^Y Key:AWOGXJOBNAWQSF-UHFFFAOYSA-N^Y
(verify)