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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H18BrN3O3
Molecular Weight 368.226
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MDMB-5Br-INACA

SMILES

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

InChI

InChIKey=QGEVEXPJOKFMAN-GFCCVEGCSA-N
InChI=1S/C15H18BrN3O3/c1-15(2,3)12(14(21)22-4)17-13(20)11-9-7-8(16)5-6-10(9)18-19-11/h5-7,12H,1-4H3,(H,17,20)(H,18,19)/t12-/m1/s1

HIDE SMILES / InChI

Molecular Formula C15H18BrN3O3
Molecular Weight 368.226
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 19:35:51 GMT 2023
Edited
by admin
on Sat Dec 16 19:35:51 GMT 2023
Record UNII
2Q2FVJ9CFN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MDMB-5Br-INACA
Common Name English
Methyl N-[(5-bromo-1H-indazol-3-yl)carbonyl]-3-methyl-L-valinate
Systematic Name English
methyl (S)-2-(5-bromo-1H-indazole-3-carboxamido)-3,3-dimethylbutanoate
Systematic Name English
Code System Code Type Description
FDA UNII
2Q2FVJ9CFN
Created by admin on Sat Dec 16 19:35:51 GMT 2023 , Edited by admin on Sat Dec 16 19:35:51 GMT 2023
PRIMARY
PUBCHEM
165362085
Created by admin on Sat Dec 16 19:35:51 GMT 2023 , Edited by admin on Sat Dec 16 19:35:51 GMT 2023
PRIMARY