BUNOLOL

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C17H25NO3
Molecular Weight	291.3853
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BUNOLOL

Structure Search

SMILES

CC(C)(C)NCC(O)COC1=CC=CC2=C1CCCC2=O

InChI

InChIKey=IXHBTMCLRNMKHZ-UHFFFAOYSA-N

InChI=1S/C17H25NO3/c1-17(2,3)18-10-12(19)11-21-16-9-5-6-13-14(16)7-4-8-15(13)20/h5-6,9,12,18-19H,4,7-8,10-11H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C17H25NO3
Molecular Weight	291.3853
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:20:11 UTC 2023` Edited by `admin` on `Fri Dec 15 17:20:11 UTC 2023`
Record UNII	71QSY2UT3G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BUNOLOL

Official Name

English

BUNOLOL [MART.]

Common Name

English

1(2H)-NAPHTHALENONE, 5-(3-(1,1-DIMETHYLETHYL)AMINO)-2-HYDROXYPROPOXY)-3,4-DIHYDRO-, (±)-

Common Name

English

(±)-5-(3-(TERT-BUTYLAMINO)-2-HYDROXYPROPOXY)-3,4-DIHYDRO-1(2H)-NAPHTHALENONE

Systematic Name

English

bunolol [INN]

Common Name

English

Code System Code Type Description

FDA UNII

71QSY2UT3G

Created by admin on Fri Dec 15 17:20:11 UTC 2023 , Edited by admin on Fri Dec 15 17:20:11 UTC 2023

PRIMARY

NCI_THESAURUS

C166977

Created by admin on Fri Dec 15 17:20:11 UTC 2023 , Edited by admin on Fri Dec 15 17:20:11 UTC 2023

PRIMARY

ChEMBL

CHEMBL293030

Created by admin on Fri Dec 15 17:20:11 UTC 2023 , Edited by admin on Fri Dec 15 17:20:11 UTC 2023

PRIMARY

CHEBI

58612

Created by admin on Fri Dec 15 17:20:11 UTC 2023 , Edited by admin on Fri Dec 15 17:20:11 UTC 2023

PRIMARY

EVMPD

SUB05979MIG

Created by admin on Fri Dec 15 17:20:11 UTC 2023 , Edited by admin on Fri Dec 15 17:20:11 UTC 2023

PRIMARY

PUBCHEM

3914

Created by admin on Fri Dec 15 17:20:11 UTC 2023 , Edited by admin on Fri Dec 15 17:20:11 UTC 2023

PRIMARY

CHEBI

29110

Created by admin on Fri Dec 15 17:20:11 UTC 2023 , Edited by admin on Fri Dec 15 17:20:11 UTC 2023

PRIMARY

CAS

26718-17-2

Created by admin on Fri Dec 15 17:20:11 UTC 2023 , Edited by admin on Fri Dec 15 17:20:11 UTC 2023

SUPERSEDED

INN

2762

Created by admin on Fri Dec 15 17:20:11 UTC 2023 , Edited by admin on Fri Dec 15 17:20:11 UTC 2023

PRIMARY

CAS

27591-01-1

Created by admin on Fri Dec 15 17:20:11 UTC 2023 , Edited by admin on Fri Dec 15 17:20:11 UTC 2023

PRIMARY

EPA CompTox

DTXSID7022702

Created by admin on Fri Dec 15 17:20:11 UTC 2023 , Edited by admin on Fri Dec 15 17:20:11 UTC 2023

PRIMARY

SMS_ID

100000088447

Created by admin on Fri Dec 15 17:20:11 UTC 2023 , Edited by admin on Fri Dec 15 17:20:11 UTC 2023

PRIMARY

Related Record Type Details


					W0Q9J8634Z

BUNOLOL HYDROCHLORIDE

SALT/SOLVATE -> PARENT


					G6317AOI7K

ENANTIOMER -> RACEMATE


					W8BFD3J6YX

ENANTIOMER -> RACEMATE

Related Record Type Details


					71QSY2UT3G

BUNOLOL

ACTIVE MOIETY