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Details

Stereochemistry ACHIRAL
Molecular Formula C32H30F3N5O3
Molecular Weight 589.6075
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0
Stereo Comments MM2 minimum energy of E and Z are 110 and 112 kcal/mol respectively

SHOW SMILES / InChI
Structure of TBI-166

SMILES

COC1CCC(CC1)\N=C2/C=C3N(C4=CC=C(OC(F)(F)F)C=C4)C5=C(C=CC=C5)N=C3C=C2NC6=C(OC)N=CC=C6

InChI

InChIKey=GUSGYHIQYWRCQO-NXEFEZKASA-N
InChI=1S/C32H30F3N5O3/c1-41-22-13-9-20(10-14-22)37-27-19-30-28(18-26(27)39-25-7-5-17-36-31(25)42-2)38-24-6-3-4-8-29(24)40(30)21-11-15-23(16-12-21)43-32(33,34)35/h3-8,11-12,15-20,22,39H,9-10,13-14H2,1-2H3/b37-27+

HIDE SMILES / InChI

Molecular Formula C32H30F3N5O3
Molecular Weight 589.6075
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sun Dec 18 13:39:54 UTC 2022
Edited
by admin
on Sun Dec 18 13:39:54 UTC 2022
Record UNII
TY9R7N6MS5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TBI-166
Code English
2-PHENAZINAMINE, 3,5-DIHYDRO-3-((4-METHOXYCYCLOHEXYL)IMINO)-N-(2-METHOXY-3-PYRIDINYL)-5-(4-(TRIFLUOROMETHOXY)PHENYL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
53377576
Created by admin on Sun Dec 18 13:39:54 UTC 2022 , Edited by admin on Sun Dec 18 13:39:54 UTC 2022
PRIMARY
FDA UNII
TY9R7N6MS5
Created by admin on Sun Dec 18 13:39:54 UTC 2022 , Edited by admin on Sun Dec 18 13:39:54 UTC 2022
PRIMARY
CAS
1353734-12-9
Created by admin on Sun Dec 18 13:39:54 UTC 2022 , Edited by admin on Sun Dec 18 13:39:54 UTC 2022
PRIMARY
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