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Details

Stereochemistry RACEMIC
Molecular Formula C19H20FNO
Molecular Weight 297.3666
Optical Activity ( + / - )
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 11-FLUORO-3,3A,8,12B-TETRAHYDRO-N-METHYL-2H-DIBENZO(3,4:6,7)CYCLOHEPTA(1,2-B)FURAN-2-METHANAMINE, REL-(2R,3AR,12BS)-

SMILES

CNC[C@@H]1C[C@@H]2[C@@H](O1)C3=CC(F)=CC=C3CC4=C2C=CC=C4

InChI

InChIKey=IBWCRYXZCIFQHF-SNRMKQJTSA-N
InChI=1S/C19H20FNO/c1-21-11-15-10-18-16-5-3-2-4-12(16)8-13-6-7-14(20)9-17(13)19(18)22-15/h2-7,9,15,18-19,21H,8,10-11H2,1H3/t15-,18-,19-/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H20FNO
Molecular Weight 297.3666
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 12:02:59 GMT 2025
Edited
by admin
on Wed Apr 02 12:02:59 GMT 2025
Record UNII
WX5AME8YKY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
11-FLUORO-3,3A,8,12B-TETRAHYDRO-N-METHYL-2H-DIBENZO(3,4:6,7)CYCLOHEPTA(1,2-B)FURAN-2-METHANAMINE, REL-(2R,3AR,12BS)-
Systematic Name English
2H-DIBENZO(3,4:6,7)CYCLOHEPTA(1,2-B)FURAN-2-METHANAMINE, 11-FLUORO-3,3A,8,12B-TETRAHYDRO-N-METHYL-, (2R,3AR,12BS)-REL-
Preferred Name English
REL-(2R,3AR,12BS)-11-FLUORO-3,3A,8,12B-TETRAHYDRO-N-METHYL-2H-DIBENZO(3,4:6,7)CYCLOHEPTA(1,2-B)FURAN-2-METHANAMINE
Systematic Name English
Code System Code Type Description
FDA UNII
WX5AME8YKY
Created by admin on Wed Apr 02 12:02:59 GMT 2025 , Edited by admin on Wed Apr 02 12:02:59 GMT 2025
PRIMARY
CAS
526213-70-7
Created by admin on Wed Apr 02 12:02:59 GMT 2025 , Edited by admin on Wed Apr 02 12:02:59 GMT 2025
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE