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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H25FN8O4
Molecular Weight 532.5263
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PLEVITREXED

SMILES

CC1=NC(=O)C2=C(N1)C=C(C)C(CN(CC#C)C3=CC(F)=C(C=C3)C(=O)N[C@@H](CCC4=NN=NN4)C(O)=O)=C2

InChI

InChIKey=IEJSCSAMMLUINT-NRFANRHFSA-N
InChI=1S/C26H25FN8O4/c1-4-9-35(13-16-11-19-22(10-14(16)2)28-15(3)29-25(19)37)17-5-6-18(20(27)12-17)24(36)30-21(26(38)39)7-8-23-31-33-34-32-23/h1,5-6,10-12,21H,7-9,13H2,2-3H3,(H,30,36)(H,38,39)(H,28,29,37)(H,31,32,33,34)/t21-/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H25FN8O4
Molecular Weight 532.5263
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
L9P2881C3H
Record Status Validated (UNII)
Record Version