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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H18F3NO
Molecular Weight 321.3368
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MDL-28618A, (+)-

SMILES

CNC[C@@H]1CC2=C(C=CC=C2)[C@@H]1OC3=CC=C(C=C3)C(F)(F)F

InChI

InChIKey=BDCMARKCSKLIKU-SUMWQHHRSA-N
InChI=1S/C18H18F3NO/c1-22-11-13-10-12-4-2-3-5-16(12)17(13)23-15-8-6-14(7-9-15)18(19,20)21/h2-9,13,17,22H,10-11H2,1H3/t13-,17+/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H18F3NO
Molecular Weight 321.3368
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:38:23 GMT 2023
Edited
by admin
on Sat Dec 16 14:38:23 GMT 2023
Record UNII
9O1J7OU9Q5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MDL-28618A, (+)-
Common Name English
1H-INDENE-2-METHANAMINE, 2,3-DIHYDRO-N-METHYL-1-(4-(TRIFLUOROMETHYL)PHENOXY)-, (1R-CIS)-
Systematic Name English
Code System Code Type Description
FDA UNII
9O1J7OU9Q5
Created by admin on Sat Dec 16 14:38:23 GMT 2023 , Edited by admin on Sat Dec 16 14:38:23 GMT 2023
PRIMARY
PUBCHEM
14595987
Created by admin on Sat Dec 16 14:38:23 GMT 2023 , Edited by admin on Sat Dec 16 14:38:23 GMT 2023
PRIMARY
CAS
130182-74-0
Created by admin on Sat Dec 16 14:38:23 GMT 2023 , Edited by admin on Sat Dec 16 14:38:23 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE