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

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H26N4O2
Molecular Weight 342.4353
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ADB-4EN-PINACA

SMILES

CC(C)(C)[C@H](NC(=O)C1=NN(CCCC=C)C2=CC=CC=C12)C(N)=O

InChI

InChIKey=NXDLAZXBALPFSN-MRXNPFEDSA-N
InChI=1S/C19H26N4O2/c1-5-6-9-12-23-14-11-8-7-10-13(14)15(22-23)18(25)21-16(17(20)24)19(2,3)4/h5,7-8,10-11,16H,1,6,9,12H2,2-4H3,(H2,20,24)(H,21,25)/t16-/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H26N4O2
Molecular Weight 342.4353
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
76QQ7SDU32
Record Status Validated (UNII)
Record Version