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Details

Stereochemistry ACHIRAL
Molecular Formula 2C19H21FN2O2.C4H4O4
Molecular Weight 772.8334
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 5
Charge 0

SHOW SMILES / InChI
Structure of EPLIVANSERIN FUMARATE

SMILES

OC(=O)\C=C\C(O)=O.CN(C)CCO\N=C(\C=C\C1=CC=C(O)C=C1)C2=C(F)C=CC=C2.CN(C)CCO\N=C(\C=C\C3=CC=C(O)C=C3)C4=C(F)C=CC=C4

InChI

InChIKey=RNLKLYQQDLHHBH-ABDBJYMXSA-N
InChI=1S/2C19H21FN2O2.C4H4O4/c2*1-22(2)13-14-24-21-19(17-5-3-4-6-18(17)20)12-9-15-7-10-16(23)11-8-15;5-3(6)1-2-4(7)8/h2*3-12,23H,13-14H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b2*12-9+,21-19-;2-1+

HIDE SMILES / InChI

Molecular Formula C4H4O4
Molecular Weight 116.0722
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Molecular Formula C19H21FN2O2
Molecular Weight 328.3806
Charge 0
Count
MOL RATIO 2 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 2
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
BT8UYC46KA
Record Status Validated (UNII)
Record Version