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Details

Stereochemistry ACHIRAL
Molecular Formula C17H21FN4.C6H8O7
Molecular Weight 492.4974
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of E-5842

SMILES

OC(=O)CC(O)(CC(O)=O)C(O)=O.FC1=CC=C(C=C1)C2=CCN(CCCCN3C=NC=N3)CC2

InChI

InChIKey=LTBKOSQVBVYJKW-UHFFFAOYSA-N
InChI=1S/C17H21FN4.C6H8O7/c18-17-5-3-15(4-6-17)16-7-11-21(12-8-16)9-1-2-10-22-14-19-13-20-22;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-7,13-14H,1-2,8-12H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

HIDE SMILES / InChI

Molecular Formula C6H8O7
Molecular Weight 192.1235
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C17H21FN4
Molecular Weight 300.3738
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Substance Class Chemical
Created
by admin
on Sat Dec 16 09:41:21 GMT 2023
Edited
by admin
on Sat Dec 16 09:41:21 GMT 2023
Record UNII
RSQ93DYX4X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
E-5842
Code English
1-(4-(1H-1,2,4-TRIAZOL-1-YL)BUTYL)-4-(4-FLUOROPHENYL)-1,2,3,6-TETRAHYDROPYRIDINE 2-HYDROXYPROPANE-1,2,3-TRICARBOXYLATE
Systematic Name English
E5842
Code English
PYRIDINE, 4-(4-FLUOROPHENYL)-1,2,3,6-TETRAHYDRO-1-(4-(1H-1,2,4-TRIAZOL-1-YL)BUTYL)-, 2-HYDROXY-1,2,3-PROPANETRICARBOXYLATE (1:1)
Systematic Name English
E-5842 CITRATE
Common Name English
4-(4-FLUOROPHENYL)-1,2,3,6-TETRAHYDRO-1-(4-(1H-1,2,4-TRIAZOL-1-YL)BUTYL)PYRIDINE 2-HYDROXY-1,2,3-PROPANETRICARBOXYLATE (1:1)
Systematic Name English
Code System Code Type Description
CAS
220120-14-9
Created by admin on Sat Dec 16 09:41:21 GMT 2023 , Edited by admin on Sat Dec 16 09:41:21 GMT 2023
PRIMARY
FDA UNII
RSQ93DYX4X
Created by admin on Sat Dec 16 09:41:21 GMT 2023 , Edited by admin on Sat Dec 16 09:41:21 GMT 2023
PRIMARY
PUBCHEM
6918385
Created by admin on Sat Dec 16 09:41:21 GMT 2023 , Edited by admin on Sat Dec 16 09:41:21 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY