
 (+/-)-Epinephrine hydrochloride

 28 27  0  0  0  0  0  0  0  0999 V2000
    5.9406    0.2456    2.3345 C   0  0  0  0  0
    5.0757    1.2592    1.7128 N   0  0  0  0  0
    4.2222    1.3562    2.3399 H   0  0  0  0  0
    5.4836    2.2017    1.7441 H   0  0  0  0  0
    4.5602    0.9885    0.3405 C   0  0  0  0  0
    5.6624    1.2596   -0.7026 C   0  0  0  0  0
    5.1897    1.0515   -2.1230 C   0  0  0  0  0
    5.7734    0.0439   -2.9062 C   0  0  0  0  0
    5.3289   -0.1638   -4.2044 C   0  0  0  0  0
    4.3115    0.6137   -4.7456 C   0  0  0  0  0
    3.7256    1.6224   -3.9921 C   0  0  0  0  0
    4.1684    1.8425   -2.6823 C   0  0  0  0  0
    3.9220    0.3455   -6.0276 O   0  0  0  0  0
    5.9059   -1.1526   -4.9478 O   0  0  0  0  0
    6.1562    2.5937   -0.5263 O   0  0  0  0  0
    2.6879    1.5406    3.4428 Cl  0  0  0  0  0
    6.8744    0.1881    1.7707 H   0  0  0  0  0
    5.4184   -0.7147    2.3238 H   0  0  0  0  0
    6.1429    0.5589    3.3614 H   0  0  0  0  0
    3.7233    1.6822    0.2033 H   0  0  0  0  0
    4.1835   -0.0389    0.3052 H   0  0  0  0  0
    6.5119    0.5957   -0.5067 H   0  0  0  0  0
    6.5699   -0.5872   -2.5204 H   0  0  0  0  0
    2.9316    2.2419   -4.3975 H   0  0  0  0  0
    3.7047    2.6398   -2.1014 H   0  0  0  0  0
    3.1910    0.9449   -6.2586 H   0  0  0  0  0
    5.4396   -1.1188   -5.8078 H   0  0  0  0  0
    6.4844    2.9009   -1.3924 H   0  0  0  0  0
  1  2  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  2  5  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  5  6  1  0  0  0
  5 20  1  0  0  0
  5 21  1  0  0  0
  6 15  1  0  0  0
  6  7  1  0  0  0
  6 22  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 23  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 24  1  0  0  0
 12 25  1  0  0  0
 13 26  1  0  0  0
 14 27  1  0  0  0
 15 28  1  0  0  0
M  CHG  2   2   1  16  -1
M  END

>  <Chemical Name>
(+/-)-Epinephrine hydrochloride

>  <PubChem CID>
9489

>  <Formula>
C9H14ClNO3

>  <Molecular Weight>
219.665000

>  <IUPAC Name>
[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-methylazanium;chloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C[NH2+]CC(C1=CC(=C(C=C1)O)O)O.[Cl-]

>  <Isomeric SMILES>
C[NH2+]CC(C1=CC(=C(C=C1)O)O)O.[Cl-]

>  <InChI Std. ID>
InChI=1S/C9H13NO3.ClH/c1-10-5-9(13)6-2-3-7(11)8(12)4-6;/h2-4,9-13H,5H2,1H3;1H

>  <InChI Key>
ATADHKWKHYVBTJ-UHFFFAOYSA-N

