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

Details

Stereochemistry ABSOLUTE
Molecular Formula C16H15NO2
Molecular Weight 253.2958
Optical Activity ( - )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DINAPSOLINE

SMILES

[H][C@]12CNCC3=CC=CC(CC4=C1C=CC(O)=C4O)=C23

InChI

InChIKey=ZQTSNGJHMUKLOM-ZDUSSCGKSA-N
InChI=1S/C16H15NO2/c18-14-5-4-11-12(16(14)19)6-9-2-1-3-10-7-17-8-13(11)15(9)10/h1-5,13,17-19H,6-8H2/t13-/m0/s1

HIDE SMILES / InChI

Molecular Formula C16H15NO2
Molecular Weight 253.2958
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
GZ9XC6C5P9
Record Status Validated (UNII)
Record Version