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Details

Stereochemistry ACHIRAL
Molecular Formula 2C22H23FN6OS.C4H4O4
Molecular Weight 993.114
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of MAX-40279 HEMIFUMARATE

SMILES

OC(=O)\C=C\C(O)=O.COC1=CC(F)=CC=C1C2=C(C)SC3=CN=C(NC4=CN(N=C4)C5CCNCC5)N=C23.COC6=CC(F)=CC=C6C7=C(C)SC8=CN=C(NC9=CN(N=C9)C%10CCNCC%10)N=C78

InChI

InChIKey=BCHMKHOVSSCBHQ-WXXKFALUSA-N
InChI=1S/2C22H23FN6OS.C4H4O4/c2*1-13-20(17-4-3-14(23)9-18(17)30-2)21-19(31-13)11-25-22(28-21)27-15-10-26-29(12-15)16-5-7-24-8-6-16;5-3(6)1-2-4(7)8/h2*3-4,9-12,16,24H,5-8H2,1-2H3,(H,25,27,28);1-2H,(H,5,6)(H,7,8)/b;;2-1+

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 C22H23FN6OS
Molecular Weight 438.521
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:03:16 UTC 2023
Edited
by admin
on Sat Dec 16 15:03:16 UTC 2023
Record UNII
JU19P2M2KM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MAX-40279 HEMIFUMARATE
Code English
7-(4-FLUORO-2-METHOXYPHENYL)-6-METHYL-N-(1-(PIPERIDIN-4-YL)-1H-PYRAZOL-4-YL) THIENO (3,2-D)PYRIMIDIN-2-AMINE SEMI-FUMARATE
Systematic Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 629118
Created by admin on Sat Dec 16 15:03:17 UTC 2023 , Edited by admin on Sat Dec 16 15:03:17 UTC 2023
Code System Code Type Description
PUBCHEM
134687611
Created by admin on Sat Dec 16 15:03:17 UTC 2023 , Edited by admin on Sat Dec 16 15:03:17 UTC 2023
PRIMARY
FDA UNII
JU19P2M2KM
Created by admin on Sat Dec 16 15:03:17 UTC 2023 , Edited by admin on Sat Dec 16 15:03:17 UTC 2023
PRIMARY
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ACTIVE MOIETY