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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 of EDRALBRUTINIB

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 Thu Jul 06 21:43:05 UTC 2023
Edited
by admin
on Thu Jul 06 21:43:05 UTC 2023
Record UNII
SG5I5QTR4E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
EDRALBRUTINIB
USAN   INN  
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 Thu Jul 06 21:43:05 UTC 2023 , Edited by admin on Thu Jul 06 21:43:05 UTC 2023
Code System Code Type Description
CAS
1858206-58-2
Created by admin on Thu Jul 06 21:43:05 UTC 2023 , Edited by admin on Thu Jul 06 21:43:05 UTC 2023
PRIMARY
FDA UNII
SG5I5QTR4E
Created by admin on Thu Jul 06 21:43:05 UTC 2023 , Edited by admin on Thu Jul 06 21:43:05 UTC 2023
PRIMARY
INN
11426
Created by admin on Thu Jul 06 21:43:05 UTC 2023 , Edited by admin on Thu Jul 06 21:43:05 UTC 2023
PRIMARY
NCI_THESAURUS
C175775
Created by admin on Thu Jul 06 21:43:05 UTC 2023 , Edited by admin on Thu Jul 06 21:43:05 UTC 2023
PRIMARY
NCI_THESAURUS
C162479
Created by admin on Thu Jul 06 21:43:05 UTC 2023 , Edited by admin on Thu Jul 06 21:43:05 UTC 2023
ALTERNATIVE
PUBCHEM
118649391
Created by admin on Thu Jul 06 21:43:05 UTC 2023 , Edited by admin on Thu Jul 06 21:43:05 UTC 2023
PRIMARY
USAN
KL-76
Created by admin on Thu Jul 06 21:43:05 UTC 2023 , Edited by admin on Thu Jul 06 21:43:05 UTC 2023
PRIMARY
SMS_ID
300000027577
Created by admin on Thu Jul 06 21:43:05 UTC 2023 , Edited by admin on Thu Jul 06 21:43:05 UTC 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY