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

Details

Stereochemistry ACHIRAL
Molecular Formula C21H26N4O2
Molecular Weight 366.4567
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYLNITAZENE

SMILES

CCN(CC)CCN1C(CC2=CC=C(C)C=C2)=NC3=CC(=CC=C13)[N+]([O-])=O

InChI

InChIKey=XGHTZJUKJYZDSW-UHFFFAOYSA-N
InChI=1S/C21H26N4O2/c1-4-23(5-2)12-13-24-20-11-10-18(25(26)27)15-19(20)22-21(24)14-17-8-6-16(3)7-9-17/h6-11,15H,4-5,12-14H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C21H26N4O2
Molecular Weight 366.4567
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
WR262T3N9P
Record Status Validated (UNII)
Record Version