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

Details

Stereochemistry ACHIRAL
Molecular Formula C13H16N2O2
Molecular Weight 232.2783
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5,6-MDO-DMT

SMILES

CN(C)CCC1=CNC2=CC3=C(OCO3)C=C12

InChI

InChIKey=QHEIGHVZMWJQHB-UHFFFAOYSA-N
InChI=1S/C13H16N2O2/c1-15(2)4-3-9-7-14-11-6-13-12(5-10(9)11)16-8-17-13/h5-7,14H,3-4,8H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C13H16N2O2
Molecular Weight 232.2783
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
QPJ5N6RF24
Record Status Validated (UNII)
Record Version