BEROTRALSTAT

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H26F4N6O
Molecular Weight	562.5607
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BEROTRALSTAT

Structure Search

SMILES

NCC1=CC(=CC=C1)N2N=C(C=C2C(=O)NC3=CC(=CC=C3F)[C@H](NCC4CC4)C5=CC=CC(=C5)C#N)C(F)(F)F

InChI

InChIKey=UXNXMBYCBRBRFD-MUUNZHRXSA-N

InChI=1S/C30H26F4N6O/c31-24-10-9-22(28(37-17-18-7-8-18)21-5-1-3-19(11-21)15-35)13-25(24)38-29(41)26-14-27(30(32,33)34)39-40(26)23-6-2-4-20(12-23)16-36/h1-6,9-14,18,28,37H,7-8,16-17,36H2,(H,38,41)/t28-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C30H26F4N6O
Molecular Weight	562.5607
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 13:47:03 UTC 2023` Edited by `admin` on `Sat Dec 16 13:47:03 UTC 2023`
Record UNII	XZA0KB1BDQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BEROTRALSTAT

Official Name

English

BCX-7353

Code

English

BEROTRALSTAT [USAN]

Common Name

English

berotralstat [INN]

Common Name

English

1H-PYRAZOLE-5-CARBOXAMIDE, 1-(3-(AMINOMETHYL)PHENYL)-N-(5-((R)-(3-CYANOPHENYL)((CYCLOPROPYLMETHYL)AMINO)METHYL)-2-FLUOROPHENYL)-3-(TRIFLUOROMETHYL)-

Systematic Name

English

Berotralstat [WHO-DD]

Common Name

English

1-[3-(Aminomethyl)phenyl]-N-(5-{(R)-(3-cyanophenyl)[(cyclopropylmethyl)amino]methyl}-2-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide

Systematic Name

English

BCX7353

Code

English

Code System Code Type Description

RXCUI

2467540

Created by admin on Sat Dec 16 13:47:05 UTC 2023 , Edited by admin on Sat Dec 16 13:47:05 UTC 2023

PRIMARY

CAS

1809010-50-1

Created by admin on Sat Dec 16 13:47:05 UTC 2023 , Edited by admin on Sat Dec 16 13:47:05 UTC 2023

PRIMARY

FDA UNII

XZA0KB1BDQ

Created by admin on Sat Dec 16 13:47:05 UTC 2023 , Edited by admin on Sat Dec 16 13:47:05 UTC 2023

PRIMARY

EPA CompTox

DTXSID401336676

Created by admin on Sat Dec 16 13:47:05 UTC 2023 , Edited by admin on Sat Dec 16 13:47:05 UTC 2023

PRIMARY

SMS_ID

300000005926

Created by admin on Sat Dec 16 13:47:05 UTC 2023 , Edited by admin on Sat Dec 16 13:47:05 UTC 2023

PRIMARY

INN

10907

Created by admin on Sat Dec 16 13:47:05 UTC 2023 , Edited by admin on Sat Dec 16 13:47:05 UTC 2023

PRIMARY

DAILYMED

XZA0KB1BDQ

Created by admin on Sat Dec 16 13:47:05 UTC 2023 , Edited by admin on Sat Dec 16 13:47:05 UTC 2023

PRIMARY

PUBCHEM

137528262

Created by admin on Sat Dec 16 13:47:05 UTC 2023 , Edited by admin on Sat Dec 16 13:47:05 UTC 2023

PRIMARY

USAN

GH-56

Created by admin on Sat Dec 16 13:47:05 UTC 2023 , Edited by admin on Sat Dec 16 13:47:05 UTC 2023

PRIMARY

NCI_THESAURUS

C169808

Created by admin on Sat Dec 16 13:47:05 UTC 2023 , Edited by admin on Sat Dec 16 13:47:05 UTC 2023

PRIMARY

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ACTIVE MOIETY

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Tmax	PHARMACOKINETIC				FED CONDITION ORAL ADMINISTRATION

Biological Half-life	PHARMACOKINETIC				ORAL ADMINISTRATION

blood to plasma ratio	PHARMACOKINETIC				SINGLE DOSE