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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
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
2Q2FVJ9CFN
Record Status Validated (UNII)
Record Version