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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H19N3O3
Molecular Weight 289.3297
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MDMB-INACA

SMILES

COC(=O)[C@@H](NC(=O)C1=NNC2=C1C=CC=C2)C(C)(C)C

InChI

InChIKey=QEXPVGIGOZJEOO-GFCCVEGCSA-N
InChI=1S/C15H19N3O3/c1-15(2,3)12(14(20)21-4)16-13(19)11-9-7-5-6-8-10(9)17-18-11/h5-8,12H,1-4H3,(H,16,19)(H,17,18)/t12-/m1/s1

HIDE SMILES / InChI

Molecular Formula C15H19N3O3
Molecular Weight 289.3297
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 19:20:06 UTC 2023
Edited
by admin
on Sat Dec 16 19:20:06 UTC 2023
Record UNII
N2R368RE68
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MDMB-INACA
Common Name English
N-(1H-Indazol-3-ylcarbonyl)-3-methyl-L-valine methyl ester
Common Name English
methyl (2S)-2-[(1H-indazol-3-yl)formamido]-3,3-dimethylbutanoate
Systematic Name English
L-Valine, N-(1H-indazol-3-ylcarbonyl)-3-methyl-, methyl ester
Common Name English
4F-MDMB BINACA B-16 METABOLITE
Common Name English
Code System Code Type Description
FDA UNII
N2R368RE68
Created by admin on Sat Dec 16 19:20:06 UTC 2023 , Edited by admin on Sat Dec 16 19:20:06 UTC 2023
PRIMARY
CAS
2709672-58-0
Created by admin on Sat Dec 16 19:20:06 UTC 2023 , Edited by admin on Sat Dec 16 19:20:06 UTC 2023
PRIMARY
PUBCHEM
167713261
Created by admin on Sat Dec 16 19:20:06 UTC 2023 , Edited by admin on Sat Dec 16 19:20:06 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE