ECASTOLOL

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C26H33N3O6
Molecular Weight	483.5567
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ECASTOLOL

Structure Search

SMILES

CCCC(=O)NC1=CC=C(OCC(O)CNCCC2=CC=C(OC)C(OC)=C2)C(=C1)C3=CC=NO3

InChI

InChIKey=CGUIWXDBHIFQJV-UHFFFAOYSA-N

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)

HIDE SMILES / InChI

Molecular Formula	C26H33N3O6
Molecular Weight	483.5567
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Description
Sources: https://link.springer.com/chapter/10.1007%2F978-1-4757-2085-3_5

Ecastolol is a beta-sympatholytic agent.

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:29:52 UTC 2023` Edited by `admin` on `Fri Dec 15 15:29:52 UTC 2023`
Record UNII	EEB95DS30P
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ECASTOLOL

Official Name

English

ecastolol [INN]

Common Name

English

(±)-4'-(3-((3,4-DIMETHOXYPHENETHYL)AMINO)-2-HYDROXYPROPOXY)-3'-(5-ISOXAZOLYL)BUTYRANILIDE

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C29576

Created by admin on Fri Dec 15 15:29:52 UTC 2023 , Edited by admin on Fri Dec 15 15:29:52 UTC 2023

Code System Code Type Description

ChEMBL

CHEMBL1742472

Created by admin on Fri Dec 15 15:29:52 UTC 2023 , Edited by admin on Fri Dec 15 15:29:52 UTC 2023

PRIMARY

SMS_ID

100000080505

Created by admin on Fri Dec 15 15:29:52 UTC 2023 , Edited by admin on Fri Dec 15 15:29:52 UTC 2023

PRIMARY

PUBCHEM

208905

Created by admin on Fri Dec 15 15:29:52 UTC 2023 , Edited by admin on Fri Dec 15 15:29:52 UTC 2023

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NCI_THESAURUS

C72608

Created by admin on Fri Dec 15 15:29:52 UTC 2023 , Edited by admin on Fri Dec 15 15:29:52 UTC 2023

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CAS

77695-52-4

Created by admin on Fri Dec 15 15:29:52 UTC 2023 , Edited by admin on Fri Dec 15 15:29:52 UTC 2023

PRIMARY

EPA CompTox

DTXSID10998909

Created by admin on Fri Dec 15 15:29:52 UTC 2023 , Edited by admin on Fri Dec 15 15:29:52 UTC 2023

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FDA UNII

EEB95DS30P

Created by admin on Fri Dec 15 15:29:52 UTC 2023 , Edited by admin on Fri Dec 15 15:29:52 UTC 2023

PRIMARY

EVMPD

SUB06444MIG

Created by admin on Fri Dec 15 15:29:52 UTC 2023 , Edited by admin on Fri Dec 15 15:29:52 UTC 2023

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WIKIPEDIA

Ecastolol

Created by admin on Fri Dec 15 15:29:52 UTC 2023 , Edited by admin on Fri Dec 15 15:29:52 UTC 2023

PRIMARY

INN

5994

Created by admin on Fri Dec 15 15:29:52 UTC 2023 , Edited by admin on Fri Dec 15 15:29:52 UTC 2023

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Related Record Type Details


					LDW95V8PGG

ECASTOLOL, (S)-

ENANTIOMER -> RACEMATE


					5875915B5K

ECASTOLOL, (R)-

ENANTIOMER -> RACEMATE

Related Record Type Details


					EEB95DS30P

ECASTOLOL

ACTIVE MOIETY