DECERNOTINIB

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H19F3N6O
Molecular Weight	392.3783
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DECERNOTINIB

Structure Search

SMILES

CC[C@@](C)(NC1=NC(=NC=C1)C2=CNC3=NC=CC=C23)C(=O)NCC(F)(F)F

InChI

InChIKey=ASUGUQWIHMTFJL-QGZVFWFLSA-N

InChI=1S/C18H19F3N6O/c1-3-17(2,16(28)25-10-18(19,20)21)27-13-6-8-23-15(26-13)12-9-24-14-11(12)5-4-7-22-14/h4-9H,3,10H2,1-2H3,(H,22,24)(H,25,28)(H,23,26,27)/t17-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C18H19F3N6O
Molecular Weight	392.3783
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 02:14:06 UTC 2023` Edited by `admin` on `Sat Dec 16 02:14:06 UTC 2023`
Record UNII	MZK2GP0RHK
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

DECERNOTINIB

Official Name

English

ADELATINIB

Common Name

English

VX-509

Code

English

VRT-831509

Code

English

(2R)-2-METHYL-2-((2-(1H-PYRROLO(2,3-B)PYRIDIN-3-YL)PYRIMIDIN- 4-YL)AMINO)-N-(2,2,2-TRIFLUOROETHYL)BUTANAMIDE

Systematic Name

English

decernotinib [INN]

Common Name

English

Decernotinib [WHO-DD]

Common Name

English

BUTANAMIDE, 2-METHYL-2-((2-(1H-PYRROLO(2,3-B)PYRIDIN-3-YL)-4-PYRIMIDINYL)AMINO)-N-(2,2,2-TRIFLUOROETHYL)-, (2R)-

Systematic Name

English

DECERNOTINIB [USAN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C1967

Created by admin on Sat Dec 16 02:14:07 UTC 2023 , Edited by admin on Sat Dec 16 02:14:07 UTC 2023

Code System Code Type Description

DRUG BANK

DB12566

Created by admin on Sat Dec 16 02:14:07 UTC 2023 , Edited by admin on Sat Dec 16 02:14:07 UTC 2023

PRIMARY

USAN

ZZ-20

Created by admin on Sat Dec 16 02:14:07 UTC 2023 , Edited by admin on Sat Dec 16 02:14:07 UTC 2023

PRIMARY

NCI_THESAURUS

C132740

Created by admin on Sat Dec 16 02:14:07 UTC 2023 , Edited by admin on Sat Dec 16 02:14:07 UTC 2023

PRIMARY

PUBCHEM

59422203

Created by admin on Sat Dec 16 02:14:07 UTC 2023 , Edited by admin on Sat Dec 16 02:14:07 UTC 2023

PRIMARY

SMS_ID

100000175120

Created by admin on Sat Dec 16 02:14:07 UTC 2023 , Edited by admin on Sat Dec 16 02:14:07 UTC 2023

PRIMARY

EPA CompTox

DTXSID70241504

Created by admin on Sat Dec 16 02:14:07 UTC 2023 , Edited by admin on Sat Dec 16 02:14:07 UTC 2023

PRIMARY

ChEMBL

CHEMBL3039513

Created by admin on Sat Dec 16 02:14:07 UTC 2023 , Edited by admin on Sat Dec 16 02:14:07 UTC 2023

PRIMARY

FDA UNII

MZK2GP0RHK

Created by admin on Sat Dec 16 02:14:07 UTC 2023 , Edited by admin on Sat Dec 16 02:14:07 UTC 2023

PRIMARY

CAS

1123889-83-7

Created by admin on Sat Dec 16 02:14:07 UTC 2023 , Edited by admin on Sat Dec 16 02:14:07 UTC 2023

NO STRUCTURE GIVEN

INN

9668

Created by admin on Sat Dec 16 02:14:07 UTC 2023 , Edited by admin on Sat Dec 16 02:14:07 UTC 2023

PRIMARY

CAS

944842-54-0

Created by admin on Sat Dec 16 02:14:07 UTC 2023 , Edited by admin on Sat Dec 16 02:14:07 UTC 2023

PRIMARY

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METABOLITE -> PARENT

Related Record Type Details


					MZK2GP0RHK

ACTIVE MOIETY