U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H27N3O3
Molecular Weight 345.436
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MDMB-BINACA

SMILES

CCCCN1N=C(C(=O)N[C@H](C(=O)OC)C(C)(C)C)C2=C1C=CC=C2

InChI

InChIKey=YHAWFWPNIXPRDT-MRXNPFEDSA-N
InChI=1S/C19H27N3O3/c1-6-7-12-22-14-11-9-8-10-13(14)15(21-22)17(23)20-16(18(24)25-5)19(2,3)4/h8-11,16H,6-7,12H2,1-5H3,(H,20,23)/t16-/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H27N3O3
Molecular Weight 345.436
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
AN7ERQ8YHM
Record Status Validated (UNII)
Record Version