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Details

Stereochemistry RACEMIC
Molecular Formula C18H24Br2N2O
Molecular Weight 444.204
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of U-77891

SMILES

CN([C@@H]1CCCC[C@]12CCCN2C)C(=O)C3=CC(Br)=C(Br)C=C3

InChI

InChIKey=XHBTZWGPHRHWQZ-AEFFLSMTSA-N
InChI=1S/C18H24Br2N2O/c1-21-11-5-10-18(21)9-4-3-6-16(18)22(2)17(23)13-7-8-14(19)15(20)12-13/h7-8,12,16H,3-6,9-11H2,1-2H3/t16-,18+/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H24Br2N2O
Molecular Weight 444.204
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
7P6974D7RX
Record Status Validated (UNII)
Record Version