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

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H25N3O3
Molecular Weight 343.4201
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MDMB-3en-BUTINACA

SMILES

COC(=O)[C@@H](NC(=O)C1=NN(CCC=C)C2=C1C=CC=C2)C(C)(C)C

InChI

InChIKey=KMTRIILAGPIBSD-MRXNPFEDSA-N
InChI=1S/C19H25N3O3/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/h6,8-11,16H,1,7,12H2,2-5H3,(H,20,23)/t16-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
MDMB-3en-BUTINACA
Preferred Name English
Methyl (S)-2-(1-(but-3-en-1-yl)-1H-indazole-3-carboxamido)-3,3-dimethylbutanoate
Systematic Name English
Code System Code Type Description
PUBCHEM
165361532
Created by admin on Sat Dec 16 19:55:58 GMT 2023 , Edited by admin on Sat Dec 16 19:55:58 GMT 2023
PRIMARY
FDA UNII
6Q37NP7S2J
Created by admin on Sat Dec 16 19:55:58 GMT 2023 , Edited by admin on Sat Dec 16 19:55:58 GMT 2023
PRIMARY