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Details

Stereochemistry ACHIRAL
Molecular Formula 2C29H44N8O3.C4H4O4
Molecular Weight 1221.4951
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of GILTERITINIB FUMARATE

SMILES

OC(=O)\C=C\C(O)=O.CCC1=C(NC2CCOCC2)N=C(NC3=CC=C(N4CCC(CC4)N5CCN(C)CC5)C(OC)=C3)C(=N1)C(N)=O.CCC6=C(NC7CCOCC7)N=C(NC8=CC=C(N9CCC(CC9)N%10CCN(C)CC%10)C(OC)=C8)C(=N6)C(N)=O

InChI

InChIKey=UJOUWHLYTQFUCU-WXXKFALUSA-N
InChI=1S/2C29H44N8O3.C4H4O4/c2*1-4-23-28(31-20-9-17-40-18-10-20)34-29(26(33-23)27(30)38)32-21-5-6-24(25(19-21)39-3)37-11-7-22(8-12-37)36-15-13-35(2)14-16-36;5-3(6)1-2-4(7)8/h2*5-6,19-20,22H,4,7-18H2,1-3H3,(H2,30,38)(H2,31,32,34);1-2H,(H,5,6)(H,7,8)/b;;2-1+

HIDE SMILES / InChI

Molecular Formula C29H44N8O3
Molecular Weight 552.7115
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C4H4O4
Molecular Weight 116.0722
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:53:34 UTC 2023
Edited
by admin
on Sat Dec 16 08:53:34 UTC 2023
Record UNII
5RZZ0Z1GJT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GILTERITINIB FUMARATE
USAN   WHO-DD  
USAN  
Official Name English
Gilteritinib fumarate [WHO-DD]
Common Name English
GILTERITINIB HEMIFUMARATE
Common Name English
GILTERITINIB FUMARATE [USAN]
Common Name English
XOSPATA
Brand Name English
2-PYRAZINECARBOXAMIDE, 6-ETHYL-3-((3-METHOXY-4-(4-(4-METHYL-1-PIPERAZINYL)-1-PIPERIDINYL)PHENYL)AMINO)-5-((TETRAHYDRO-2H-PYRAN-4-YL)AMINO)-, (2E)-2-BUTENEDIOATE (2:1)
Systematic Name English
ASP2215 HEMIFUMARATE
Code English
GILTERITINIB FUMARATE [JAN]
Common Name English
ASP-2215 HEMIFUMARATE
Code English
GILTERITINIB FUMARATE [ORANGE BOOK]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C1967
Created by admin on Sat Dec 16 08:53:35 UTC 2023 , Edited by admin on Sat Dec 16 08:53:35 UTC 2023
Code System Code Type Description
CAS
1254053-84-3
Created by admin on Sat Dec 16 08:53:35 UTC 2023 , Edited by admin on Sat Dec 16 08:53:35 UTC 2023
PRIMARY
RXCUI
2105823
Created by admin on Sat Dec 16 08:53:35 UTC 2023 , Edited by admin on Sat Dec 16 08:53:35 UTC 2023
PRIMARY
PUBCHEM
76970819
Created by admin on Sat Dec 16 08:53:35 UTC 2023 , Edited by admin on Sat Dec 16 08:53:35 UTC 2023
PRIMARY
CHEBI
145372
Created by admin on Sat Dec 16 08:53:35 UTC 2023 , Edited by admin on Sat Dec 16 08:53:35 UTC 2023
PRIMARY
FDA UNII
5RZZ0Z1GJT
Created by admin on Sat Dec 16 08:53:35 UTC 2023 , Edited by admin on Sat Dec 16 08:53:35 UTC 2023
PRIMARY
ChEMBL
CHEMBL3301622
Created by admin on Sat Dec 16 08:53:35 UTC 2023 , Edited by admin on Sat Dec 16 08:53:35 UTC 2023
PRIMARY
DRUG BANK
DBSALT002819
Created by admin on Sat Dec 16 08:53:35 UTC 2023 , Edited by admin on Sat Dec 16 08:53:35 UTC 2023
PRIMARY
DAILYMED
5RZZ0Z1GJT
Created by admin on Sat Dec 16 08:53:35 UTC 2023 , Edited by admin on Sat Dec 16 08:53:35 UTC 2023
PRIMARY
USAN
BC-52
Created by admin on Sat Dec 16 08:53:35 UTC 2023 , Edited by admin on Sat Dec 16 08:53:35 UTC 2023
PRIMARY
SMS_ID
100000181875
Created by admin on Sat Dec 16 08:53:35 UTC 2023 , Edited by admin on Sat Dec 16 08:53:35 UTC 2023
PRIMARY
EPA CompTox
DTXSID001027950
Created by admin on Sat Dec 16 08:53:35 UTC 2023 , Edited by admin on Sat Dec 16 08:53:35 UTC 2023
PRIMARY
NCI_THESAURUS
C119665
Created by admin on Sat Dec 16 08:53:35 UTC 2023 , Edited by admin on Sat Dec 16 08:53:35 UTC 2023
PRIMARY
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PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY