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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H25N5O4
Molecular Weight 423.465
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GUNAGRATINIB

SMILES

CNC1=C(C(N)=O)C(=NN1[C@H]2CCN(C2)C(=O)C=C)C#CC3=CC(OC)=CC(OC)=C3

InChI

InChIKey=QFUIJOBJAQBGDH-HNNXBMFYSA-N
InChI=1S/C22H25N5O4/c1-5-19(28)26-9-8-15(13-26)27-22(24-2)20(21(23)29)18(25-27)7-6-14-10-16(30-3)12-17(11-14)31-4/h5,10-12,15,24H,1,8-9,13H2,2-4H3,(H2,23,29)/t15-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H25N5O4
Molecular Weight 423.465
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 15:42:35 GMT 2023
Edited
by admin
on Sat Dec 16 15:42:35 GMT 2023
Record UNII
9D589FD91A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GUNAGRATINIB
INN  
Official Name English
gunagratinib [INN]
Common Name English
1H-PYRAZOLE-4-CARBOXAMIDE, 3-(2-(3,5-DIMETHOXYPHENYL)ETHYNYL)-5-(METHYLAMINO)-1-((3S)-1-(1-OXO-2-PROPEN-1-YL)-3-PYRROLIDINYL)-
Systematic Name English
(S)-1-(1-ACRYLOYLPYRROLIDIN-3-YL)-3-((3,5-DIMETHOXYPHENYL)ETHYNYL)-5-(METHYLAMINO)-1H-PYRAZOLE-4-CARBOXAMIDE
Systematic Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 820521
Created by admin on Sat Dec 16 15:42:35 GMT 2023 , Edited by admin on Sat Dec 16 15:42:35 GMT 2023
Code System Code Type Description
FDA UNII
9D589FD91A
Created by admin on Sat Dec 16 15:42:35 GMT 2023 , Edited by admin on Sat Dec 16 15:42:35 GMT 2023
PRIMARY
INN
11714
Created by admin on Sat Dec 16 15:42:35 GMT 2023 , Edited by admin on Sat Dec 16 15:42:35 GMT 2023
PRIMARY
CAS
2211082-53-8
Created by admin on Sat Dec 16 15:42:35 GMT 2023 , Edited by admin on Sat Dec 16 15:42:35 GMT 2023
PRIMARY
SMS_ID
300000039085
Created by admin on Sat Dec 16 15:42:35 GMT 2023 , Edited by admin on Sat Dec 16 15:42:35 GMT 2023
PRIMARY
PUBCHEM
138734912
Created by admin on Sat Dec 16 15:42:35 GMT 2023 , Edited by admin on Sat Dec 16 15:42:35 GMT 2023
PRIMARY
NCI_THESAURUS
C178318
Created by admin on Sat Dec 16 15:42:35 GMT 2023 , Edited by admin on Sat Dec 16 15:42:35 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY