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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H22N6O.C4H4O4
Molecular Weight 490.5111
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of GLASDEGIB MALEATE

SMILES

OC(=O)\C=C/C(O)=O.CN1CC[C@H](C[C@@H]1C2=NC3=CC=CC=C3N2)NC(=O)NC4=CC=C(C=C4)C#N

InChI

InChIKey=VJCVKWFBWAVYOC-UIXXXISESA-N
InChI=1S/C21H22N6O.C4H4O4/c1-27-11-10-16(24-21(28)23-15-8-6-14(13-22)7-9-15)12-19(27)20-25-17-4-2-3-5-18(17)26-20;5-3(6)1-2-4(7)8/h2-9,16,19H,10-12H2,1H3,(H,25,26)(H2,23,24,28);1-2H,(H,5,6)(H,7,8)/b;2-1-/t16-,19-;/m1./s1

HIDE SMILES / InChI

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

Molecular Formula C21H22N6O
Molecular Weight 374.439
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:14:14 UTC 2023
Edited
by admin
on Sat Dec 16 14:14:14 UTC 2023
Record UNII
TH2EV99S4Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GLASDEGIB MALEATE
Common Name English
DAURISMO
Brand Name English
GLASDEGIB MALEATE [ORANGE BOOK]
Common Name English
PF-04449913 MALEATE
Code English
GLASDEGIB MALEATE [JAN]
Common Name English
Glasdegib maleate [WHO-DD]
Common Name English
UREA, N-((2R,4R)-2-(1H-BENZIMIDAZOL-2-YL)-1-METHYL-4-PIPERIDINYL)-N'-(4-CYANOPHENYL)-, (2Z)-2-BUTENEDIOATE (1:1)
Systematic Name English
Classification Tree Code System Code
EU-Orphan Drug EU/3/17/1923
Created by admin on Sat Dec 16 14:14:14 UTC 2023 , Edited by admin on Sat Dec 16 14:14:14 UTC 2023
Code System Code Type Description
EPA CompTox
DTXSID301027747
Created by admin on Sat Dec 16 14:14:14 UTC 2023 , Edited by admin on Sat Dec 16 14:14:14 UTC 2023
PRIMARY
CHEBI
145428
Created by admin on Sat Dec 16 14:14:14 UTC 2023 , Edited by admin on Sat Dec 16 14:14:14 UTC 2023
PRIMARY
RXCUI
2105844
Created by admin on Sat Dec 16 14:14:14 UTC 2023 , Edited by admin on Sat Dec 16 14:14:14 UTC 2023
PRIMARY
PUBCHEM
122640033
Created by admin on Sat Dec 16 14:14:14 UTC 2023 , Edited by admin on Sat Dec 16 14:14:14 UTC 2023
PRIMARY
SMS_ID
100000177195
Created by admin on Sat Dec 16 14:14:14 UTC 2023 , Edited by admin on Sat Dec 16 14:14:14 UTC 2023
PRIMARY
FDA UNII
TH2EV99S4Z
Created by admin on Sat Dec 16 14:14:14 UTC 2023 , Edited by admin on Sat Dec 16 14:14:14 UTC 2023
PRIMARY
CAS
2030410-25-2
Created by admin on Sat Dec 16 14:14:14 UTC 2023 , Edited by admin on Sat Dec 16 14:14:14 UTC 2023
PRIMARY
NCI_THESAURUS
C156894
Created by admin on Sat Dec 16 14:14:14 UTC 2023 , Edited by admin on Sat Dec 16 14:14:14 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY