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Details

Stereochemistry RACEMIC
Molecular Formula C13H10F3N3O5
Molecular Weight 345.2308
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,2,2-Trifluoro-1-(1,2,4,5-tetrahydro-6,8-dinitro-1,5-methano-3H-3-benzazepin-3-yl)ethanone

SMILES

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

InChI

InChIKey=IWIOYWHMULYHRT-NKWVEPMBSA-N
InChI=1S/C13H10F3N3O5/c14-13(15,16)12(20)17-4-6-1-7(5-17)11-9(6)2-8(18(21)22)3-10(11)19(23)24/h2-3,6-7H,1,4-5H2/t6-,7+/m0/s1

HIDE SMILES / InChI

Molecular Formula C13H10F3N3O5
Molecular Weight 345.2308
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 18:20:32 GMT 2023
Edited
by admin
on Sat Dec 16 18:20:32 GMT 2023
Record UNII
TG9NKJ6FJC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,2,2-Trifluoro-1-(1,2,4,5-tetrahydro-6,8-dinitro-1,5-methano-3H-3-benzazepin-3-yl)ethanone
Systematic Name English
Ethanone, 2,2,2-trifluoro-1-(1,2,4,5-tetrahydro-6,8-dinitro-1,5-methano-3H-3-benzazepin-3-yl)-
Systematic Name English
Varenicline meta-Dinitro Impurity
Common Name English
Code System Code Type Description
CAS
853946-18-6
Created by admin on Sat Dec 16 18:20:32 GMT 2023 , Edited by admin on Sat Dec 16 18:20:32 GMT 2023
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FDA UNII
TG9NKJ6FJC
Created by admin on Sat Dec 16 18:20:32 GMT 2023 , Edited by admin on Sat Dec 16 18:20:32 GMT 2023
PRIMARY
PUBCHEM
168429472
Created by admin on Sat Dec 16 18:20:32 GMT 2023 , Edited by admin on Sat Dec 16 18:20:32 GMT 2023
PRIMARY