Ecastolol

Ecastolol
Clinical data
ATC code	None;
Identifiers
	IUPAC name N-[4-(3-{[2-(3,4-Dimethoxyphenyl)ethyl]amino}-2-hydroxypropoxy)-3-(1,2-oxazol-5-yl)phenyl]butanamide;
CAS Number	77695-52-4 ;
PubChem CID	208905;
ChemSpider	181003;
UNII	EEB95DS30P;
ChEMBL	ChEMBL1121343;
CompTox Dashboard (EPA)	DTXSID10998909 ;
Chemical and physical data
Formula	C26H33N3O6
Molar mass	483.565 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES CCCC(=O)NC1=CC(=C(C=C1)OCC(CNCCC2=CC(=C(C=C2)OC)OC)O)C3=CC=NO3;
	InChI InChI=1S/C26H33N3O6/c1-4-5-26(31)29-19-7-9-22(21(15-19)23-11-13-28-35-23)34-17-20(30)16-27-12-10-18-6-8-24(32-2)25(14-18)33-3/h6-9,11,13-15,20,27,30H,4-5,10,12,16-17H2,1-3H3,(H,29,31); Key:CGUIWXDBHIFQJV-UHFFFAOYSA-N;

Ecastolol is a beta blocker.^[1]

References

^ Korolkovas A (1988). Essentials of medicinal chemistry. John Wiley & Sons. p. 436. ISBN 978-0-471-88356-2.

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Clinical data

ATC code	None
Identifiers
IUPAC name N-[4-(3-{[2-(3,4-Dimethoxyphenyl)ethyl]amino}-2-hydroxypropoxy)-3-(1,2-oxazol-5-yl)phenyl]butanamide
CAS Number	77695-52-4^Y
PubChem CID	208905
ChemSpider	181003
UNII	EEB95DS30P
ChEMBL	ChEMBL1121343
CompTox Dashboard (EPA)	DTXSID10998909
Chemical and physical data
Formula	C₂₆H₃₃N₃O₆
Molar mass	483.565 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES CCCC(=O)NC1=CC(=C(C=C1)OCC(CNCCC2=CC(=C(C=C2)OC)OC)O)C3=CC=NO3
InChI InChI=1S/C26H33N3O6/c1-4-5-26(31)29-19-7-9-22(21(15-19)23-11-13-28-35-23)34-17-20(30)16-27-12-10-18-6-8-24(32-2)25(14-18)33-3/h6-9,11,13-15,20,27,30H,4-5,10,12,16-17H2,1-3H3,(H,29,31) Key:CGUIWXDBHIFQJV-UHFFFAOYSA-N