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

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H23N7O6
Molecular Weight 457.4399
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ARFOLITIXORIN

SMILES

[H][C@@]12CN(CN1C3=C(NC2)NC(N)=NC3=O)C4=CC=C(C=C4)C(=O)N[C@@H](CCC(O)=O)C(O)=O

InChI

InChIKey=QYNUQALWYRSVHF-OLZOCXBDSA-N
InChI=1S/C20H23N7O6/c21-20-24-16-15(18(31)25-20)27-9-26(8-12(27)7-22-16)11-3-1-10(2-4-11)17(30)23-13(19(32)33)5-6-14(28)29/h1-4,12-13H,5-9H2,(H,23,30)(H,28,29)(H,32,33)(H4,21,22,24,25,31)/t12-,13+/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H23N7O6
Molecular Weight 457.4399
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
Z8R4A37V9Q
Record Status Validated (UNII)
Record Version