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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
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 20:17:13 GMT 2023
Edited
by admin
on Sat Dec 16 20:17:13 GMT 2023
Record UNII
AN7ERQ8YHM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MDMB-BINACA
Common Name English
Methyl 2-[(1-butylindazole-3-carbonyl)amino]-3,3-dimethyl-butanoate
Systematic Name English
MDMB-BUTINACA
Common Name English
Code System Code Type Description
PUBCHEM
165361538
Created by admin on Sat Dec 16 20:17:13 GMT 2023 , Edited by admin on Sat Dec 16 20:17:13 GMT 2023
PRIMARY
FDA UNII
AN7ERQ8YHM
Created by admin on Sat Dec 16 20:17:13 GMT 2023 , Edited by admin on Sat Dec 16 20:17:13 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> AGONIST
Related Record Type Details
ACTIVE MOIETY