U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C14H20FN5O
Molecular Weight 293.3399
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SELGANTOLIMOD

SMILES

CCCC[C@@](C)(CO)NC1=NC(N)=NC2=C1N=CC(F)=C2

InChI

InChIKey=HTCJUBZBSJQWBW-AWEZNQCLSA-N
InChI=1S/C14H20FN5O/c1-3-4-5-14(2,8-21)20-12-11-10(18-13(16)19-12)6-9(15)7-17-11/h6-7,21H,3-5,8H2,1-2H3,(H3,16,18,19,20)/t14-/m0/s1

HIDE SMILES / InChI

Molecular Formula C14H20FN5O
Molecular Weight 293.3399
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
RM4GJT3SMQ
Record Status Validated (UNII)
Record Version