Marvin  04271009452D          

 20 21  0  0  1  0            999 V2000
    9.0628   -5.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3479   -4.5867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4897   -2.9378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7754   -3.3506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2043   -3.3501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7758   -4.1755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2046   -4.1752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7768   -6.6507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0621   -5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0624   -7.0634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3478   -5.8265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6338   -5.8244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9192   -5.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4904   -4.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7764   -5.8256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3478   -6.6510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4907   -5.4129    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6335   -7.0637    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    8.3481   -5.4117    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2050   -5.8248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 19  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6 14  2  0  0  0  0
  7 14  1  0  0  0  0
  8 10  1  0  0  0  0
  8 15  2  0  0  0  0
  9 11  2  0  0  0  0
  9 15  1  0  0  0  0
 10 16  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 12 19  1  0  0  0  0
 13 20  1  0  0  0  0
 14 17  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 20  1  1  0  0  0
M  END
> <ID>
CHEBI:59301

> <NAME>
(R)-bromazine

> <DEFINITION>
The (R)-enantiomer of bromazine.

> <STAR>
3

> <SYNONYM>
(R)-bromodiphenhydramine; (R)-beta-dimethylaminoethyl p-bromobenzhydryl ether; (R)-beta-(p-bromobenzhydryloxy)ethyldimethylamine; (R)-2-(p-bromo-alpha-phenylbenzyloxy)-N,N-dimethylethylamine

> <IUPAC_NAME>
2-[(R)-(4-bromophenyl)(phenyl)methoxy]-N,N-dimethylethanamine

> <FORMULA>
C17H20BrNO

> <MASS>
334.25100

> <MONOISOTOPIC_MASS>
333.07283

> <CHARGE>
0

> <SMILES>
CN(C)CCO[C@H](c1ccccc1)c1ccc(Br)cc1

> <INCHI>
InChI=1S/C17H20BrNO/c1-19(2)12-13-20-17(14-6-4-3-5-7-14)15-8-10-16(18)11-9-15/h3-11,17H,12-13H2,1-2H3/t17-/m1/s1

> <INCHIKEY>
NUNIWXHYABYXKF-QGZVFWFLSA-N

$$$$