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Details

Stereochemistry ACHIRAL
Molecular Formula C20H21F3N4O
Molecular Weight 390.4021
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Emraclidine

SMILES

CC1=NC2=C(CN(C2)C(=O)CC3CN(C3)C4=CC=NC(=C4)C(F)(F)F)C(C)=C1

InChI

InChIKey=DTCZNKWBDTXEBS-UHFFFAOYSA-N
InChI=1S/C20H21F3N4O/c1-12-5-13(2)25-17-11-27(10-16(12)17)19(28)6-14-8-26(9-14)15-3-4-24-18(7-15)20(21,22)23/h3-5,7,14H,6,8-11H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C20H21F3N4O
Molecular Weight 390.4021
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
J241Y80EEO
Record Status Validated (UNII)
Record Version