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Details

Stereochemistry ACHIRAL
Molecular Formula C18H25F3N4O.C4H4O4
Molecular Weight 486.4847
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ORG-13011 FUMARATE

SMILES

OC(=O)\C=C\C(O)=O.FC(F)(F)C1=CC(=NC=C1)N2CCN(CCCCN3CCCC3=O)CC2

InChI

InChIKey=KILJTUTVUORPFQ-WLHGVMLRSA-N
InChI=1S/C18H25F3N4O.C4H4O4/c19-18(20,21)15-5-6-22-16(14-15)24-12-10-23(11-13-24)7-1-2-8-25-9-3-4-17(25)26;5-3(6)1-2-4(7)8/h5-6,14H,1-4,7-13H2;1-2H,(H,5,6)(H,7,8)/b;2-1+

HIDE SMILES / InChI

Approval Year

Name Type Language
ORG-13011 FUMARATE
Common Name English
2-PYRROLIDINONE, 1-(4-(4-(4-(TRIFLUOROMETHYL)-2-PYRIDINYL)-1-PIPERAZINYL)BUTYL)-, (E)-2-BUTENEDIOATE (1:1)
Systematic Name English
2-PYRROLIDINONE, 1-(4-(4-(4-(TRIFLUOROMETHYL)-2-PYRIDINYL)-1-PIPERAZINYL)BUTYL)-, (2E)-2-BUTENEDIOATE (1:1)
Systematic Name English
ORG-13011-FUMARATE
Common Name English
Code System Code Type Description
CAS
142494-13-1
Created by admin on Sat Dec 16 10:17:33 UTC 2023 , Edited by admin on Sat Dec 16 10:17:33 UTC 2023
PRIMARY
PUBCHEM
70682615
Created by admin on Sat Dec 16 10:17:33 UTC 2023 , Edited by admin on Sat Dec 16 10:17:33 UTC 2023
PRIMARY
FDA UNII
O6W064NQ9M
Created by admin on Sat Dec 16 10:17:33 UTC 2023 , Edited by admin on Sat Dec 16 10:17:33 UTC 2023
PRIMARY