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Details

Stereochemistry RACEMIC
Molecular Formula C13H11F3N2O3
Molecular Weight 300.2332
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-nitro-3-(trifluoroacetyl)-2,3,4,5-tetrahydro-1H-1,5-methano-3-benzazepine

SMILES

[O-][N+](=O)C1=CC2=C(C=C1)[C@@H]3C[C@H]2CN(C3)C(=O)C(F)(F)F

InChI

InChIKey=QIRWLPNFDZWWIS-SFYZADRCSA-N
InChI=1S/C13H11F3N2O3/c14-13(15,16)12(19)17-5-7-3-8(6-17)11-4-9(18(20)21)1-2-10(7)11/h1-2,4,7-8H,3,5-6H2/t7-,8+/m1/s1

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
7-nitro-3-(trifluoroacetyl)-2,3,4,5-tetrahydro-1H-1,5-methano-3-benzazepine
Systematic Name English
2,2,2-Trifluoro-1-(1,2,4,5-tetrahydro-7-nitro-1,5-methano-3H-3-benzazepin-3-yl)ethanone
Systematic Name English
Ethanone, 2,2,2-trifluoro-1-(1,2,4,5-tetrahydro-7-nitro-1,5-methano-3H-3-benzazepin-3-yl)-
Systematic Name English
Varenicline Impurity 1
Common Name English
Code System Code Type Description
CAS
230615-53-9
Created by admin on Sat Dec 16 18:08:21 GMT 2023 , Edited by admin on Sat Dec 16 18:08:21 GMT 2023
PRIMARY
FDA UNII
3UNZ5ZAV2U
Created by admin on Sat Dec 16 18:08:21 GMT 2023 , Edited by admin on Sat Dec 16 18:08:21 GMT 2023
PRIMARY
PUBCHEM
129391994
Created by admin on Sat Dec 16 18:08:21 GMT 2023 , Edited by admin on Sat Dec 16 18:08:21 GMT 2023
PRIMARY
NIH
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