EDRALBRUTINIB

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H21F2N5O3
Molecular Weight	489.4734
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC#CC(=O)N1CC[C@H](C1)N2C=C(C3=C2C(=O)NN=C3N)C4=CC=C(OC5=C(F)C=CC=C5F)C=C4

InChI

InChIKey=DNPOFZXZJJDQLB-MRXNPFEDSA-N

InChI=1S/C26H21F2N5O3/c1-2-4-21(34)32-12-11-16(13-32)33-14-18(22-23(33)26(35)31-30-25(22)29)15-7-9-17(10-8-15)36-24-19(27)5-3-6-20(24)28/h3,5-10,14,16H,11-13H2,1H3,(H2,29,30)(H,31,35)/t16-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C26H21F2N5O3
Molecular Weight	489.4734
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 16:12:14 UTC 2023` Edited by `admin` on `Sat Dec 16 16:12:14 UTC 2023`
Record UNII	SG5I5QTR4E
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

EDRALBRUTINIB

Official Name

English

SHR-1459

Code

English

4-AMINO-3-(4-(2,6-DIFLUOROPHENOXY)PHENYL)-1,6-DIHYDRO-1-((3R)-1-(1-OXO-2-BUTYN-1-YL)-3-PYRROLIDINYL)-7H-PYRROLO(2,3-D)PYRIDAZIN-7-ONE

Systematic Name

English

TG-1701

Code

English

edralbrutinib [INN]

Common Name

English

TG 1701 [WHO-DD]

Common Name

English

SHR1459

Code

English

EDRALBRUTINIB [USAN]

Common Name

English

TG1701

Code

English

4-amino-1-[(3R)-1-(but-2-ynoyl)pyrrolidin-3-yl]-3-[4-(2,6-difluorophenoxy)phenyl]-1,6-dihydro-7Hpyrrolo[2,3-d]pyridazin-7-one

Systematic Name

English

7H-Pyrrolo[2,3-d]pyridazin-7-one, 4-amino-3-[4-(2,6-difluorophenoxy)phenyl]-1,6-dihydro-1-[(3R)-1-(1-oxo-2-butyn-1-yl)-3-pyrrolidinyl]-

Systematic Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

935023

Created by admin on Sat Dec 16 16:12:14 UTC 2023 , Edited by admin on Sat Dec 16 16:12:14 UTC 2023

Code System Code Type Description

CAS

1858206-58-2

Created by admin on Sat Dec 16 16:12:14 UTC 2023 , Edited by admin on Sat Dec 16 16:12:14 UTC 2023

PRIMARY

FDA UNII

SG5I5QTR4E

Created by admin on Sat Dec 16 16:12:14 UTC 2023 , Edited by admin on Sat Dec 16 16:12:14 UTC 2023

PRIMARY

INN

11426

Created by admin on Sat Dec 16 16:12:14 UTC 2023 , Edited by admin on Sat Dec 16 16:12:14 UTC 2023

PRIMARY

NCI_THESAURUS

C175775