EPETRABOROLE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C11H16BNO4
Molecular Weight	237.06
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of EPETRABOROLE

Structure Search

SMILES

NC[C@H]1OB(O)C2=C1C=CC=C2OCCCO

InChI

InChIKey=FXQIIDINBDJDKL-SNVBAGLBSA-N

InChI=1S/C11H16BNO4/c13-7-10-8-3-1-4-9(16-6-2-5-14)11(8)12(15)17-10/h1,3-4,10,14-15H,2,5-7,13H2/t10-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C11H16BNO4
Molecular Weight	237.06
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 02:02:00 UTC 2023` Edited by `admin` on `Sat Dec 16 02:02:00 UTC 2023`
Record UNII	6MC93Z2DF9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

EPETRABOROLE

Official Name

English

GSK-2251052

Code

English

GSK2251052

Code

English

1-PROPANOL, 3-(((3S)-3-(AMINOMETHYL)-1,3-DIHYDRO-1-HYDROXY-2,1-BENZOXABOROL-7-YL)OXY)-

Systematic Name

English

AN3365

Code

English

epetraborole [INN]

Common Name

English

AN-3365

Code

English

Epetraborole [WHO-DD]

Common Name

English

Code System Code Type Description

DRUG BANK

DB11744

Created by admin on Sat Dec 16 02:02:00 UTC 2023 , Edited by admin on Sat Dec 16 02:02:00 UTC 2023

PRIMARY

SMS_ID

300000034230

Created by admin on Sat Dec 16 02:02:00 UTC 2023 , Edited by admin on Sat Dec 16 02:02:00 UTC 2023

PRIMARY

INN

10025

Created by admin on Sat Dec 16 02:02:00 UTC 2023 , Edited by admin on Sat Dec 16 02:02:00 UTC 2023

PRIMARY

EPA CompTox

DTXSID20148913

Created by admin on Sat Dec 16 02:02:00 UTC 2023 , Edited by admin on Sat Dec 16 02:02:00 UTC 2023

PRIMARY

CAS

1093643-37-8

Created by admin on Sat Dec 16 02:02:00 UTC 2023 , Edited by admin on Sat Dec 16 02:02:00 UTC 2023

PRIMARY

FDA UNII

6MC93Z2DF9

Created by admin on Sat Dec 16 02:02:00 UTC 2023 , Edited by admin on Sat Dec 16 02:02:00 UTC 2023

PRIMARY

NCI_THESAURUS

C166950

Created by admin on Sat Dec 16 02:02:00 UTC 2023 , Edited by admin on Sat Dec 16 02:02:00 UTC 2023

PRIMARY

PUBCHEM

46836890

Created by admin on Sat Dec 16 02:02:00 UTC 2023 , Edited by admin on Sat Dec 16 02:02:00 UTC 2023

PRIMARY

Related Record Type Details


					MM0NZY12FA

EPETRABOROLE HYDROCHLORIDE

SALT/SOLVATE -> PARENT

Amount:


					Y9O4JH3X21

MYCOBACTERIUM ABSCESSUS

TARGET ORGANISM->INHIBITOR

Amount:


					Y793W5V55N

PSEUDOMONAS AERUGINOSA

TARGET ORGANISM->INHIBITOR

Amount:


					VG9GE7GB3F

EPETRABOROLE R-MANDELATE

SALT/SOLVATE -> PARENT

Amount:

Related Record Type Details


					P11O47TC0V

3-(((3S)-3-((ACETYLAMINO)METHYL)-1,3-DIHYDRO-1-HYDROXY-2,1-BENZOXABOROL-7-YL)OXY)PROPANOIC ACID

METABOLITE -> PARENT

Qualification:

URINE

Amount:


					JTG6O9MDD7

3-(((3S)-3-(AMINOMETHYL)-1,3-DIHYDRO-1-HYDROXY-2,1-BENZOXABOROL-7-YL)OXY)PROPANOIC ACID

METABOLITE -> PARENT

Qualification:

FECAL

Amount:


					JTG6O9MDD7

3-(((3S)-3-(AMINOMETHYL)-1,3-DIHYDRO-1-HYDROXY-2,1-BENZOXABOROL-7-YL)OXY)PROPANOIC ACID

METABOLITE -> PARENT

Qualification:

URINE

Amount:


					JTG6O9MDD7

3-(((3S)-3-(AMINOMETHYL)-1,3-DIHYDRO-1-HYDROXY-2,1-BENZOXABOROL-7-YL)OXY)PROPANOIC ACID

METABOLITE -> PARENT

Interaction Type:

MAJOR

Qualification:

PLASMA

Amount:

Related Record Type Details


					6MC93Z2DF9

ACTIVE MOIETY

Amount:

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Biological Half-life	PHARMACOKINETIC				INTRAVENOUS ADMINISTRATION SINGLE DOSE

Tmax	PHARMACOKINETIC				INTRAVENOUS ADMINISTRATION SINGLE DOSE