Ketcher 02262010002D 1   1.00000     0.00000     0

 14 14  0     1  0            999 V2000
    9.5558   -4.7337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5559   -5.7308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6897   -4.2337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4220   -6.2308    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.6899   -6.2337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8238   -4.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8238   -5.7338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4217   -4.2336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2878   -4.7335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1539   -4.2334    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0200   -4.7332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0200   -5.7332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8859   -4.2331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4217   -3.2336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  1  3  1  0     0  0
  2  4  1  0     0  0
  2  5  1  0     0  0
  3  6  2  0     0  0
  5  7  2  0     0  0
  6  7  1  0     0  0
  1  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 11 13  1  0     0  0
  8 14  1  1     0  0
M  END
> <ID>
CHEBI:146224

> <NAME>
(R)-clorprenaline

> <DEFINITION>
A 1-(2-chlorophenyl)-2-isopropylaminoethanol that has (R)-configuration.

> <STAR>
3

> <SYNONYM>
(R)-1-(o-chlorophenyl)-2-(isopropylamino)ethanol; (R)-1-(2-chlorophenyl)-2-isopropylaminoethanol; (1R)-1-(2-chlorophenyl)-2-[(propan-2-yl)amino]ethan-1-ol; (-)-isoprophenamine; (-)-clorprenaline

> <IUPAC_NAME>
(1R)-1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol

> <FORMULA>
C11H16ClNO

> <MASS>
213.710

> <MONOISOTOPIC_MASS>
213.09204

> <CHARGE>
0

> <SMILES>
C1(=C(Cl)C=CC=C1)[C@H](CNC(C)C)O

> <INCHI>
InChI=1S/C11H16ClNO/c1-8(2)13-7-11(14)9-5-3-4-6-10(9)12/h3-6,8,11,13-14H,7H2,1-2H3/t11-/m0/s1

> <INCHIKEY>
SSMSBSWKLKKXGG-NSHDSACASA-N

> <CAS_REGISTRY_NUMBER>
58948-07-5

> <CHEMIDPLUS>
58948-07-5

$$$$