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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H26ClF3N6O3
Molecular Weight 574.982
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TELOTRISTAT ETHYL

SMILES

CCOC(=O)[C@@H](N)CC1=CC=C(C=C1)C2=CC(O[C@H](C3=C(C=C(Cl)C=C3)N4C=CC(C)=N4)C(F)(F)F)=NC(N)=N2

InChI

InChIKey=MDSQOJYHHZBZKA-GBXCKJPGSA-N
InChI=1S/C27H26ClF3N6O3/c1-3-39-25(38)20(32)12-16-4-6-17(7-5-16)21-14-23(35-26(33)34-21)40-24(27(29,30)31)19-9-8-18(28)13-22(19)37-11-10-15(2)36-37/h4-11,13-14,20,24H,3,12,32H2,1-2H3,(H2,33,34,35)/t20-,24+/m0/s1

HIDE SMILES / InChI

Molecular Formula C27H26ClF3N6O3
Molecular Weight 574.982
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
8G388563M7
Record Status Validated (UNII)
Record Version