U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H26FN6O6P
Molecular Weight 508.4399
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FOBREPODACIN

SMILES

CCNC(=O)NC1=NC2=CC(C3=CN=C(N=C3)C(C)(C)OP(O)(O)=O)=C(F)C([C@H]4CCCO4)=C2N1

InChI

InChIKey=COTQDURISRILOR-CQSZACIVSA-N
InChI=1S/C21H26FN6O6P/c1-4-23-20(29)28-19-26-13-8-12(16(22)15(17(13)27-19)14-6-5-7-33-14)11-9-24-18(25-10-11)21(2,3)34-35(30,31)32/h8-10,14H,4-7H2,1-3H3,(H2,30,31,32)(H3,23,26,27,28,29)/t14-/m1/s1

HIDE SMILES / InChI

Approval Year