Marvin  01071010472D          

 16 16  0  0  0  0            999 V2000
   10.0211   -6.1461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0211   -6.9701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3074   -5.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7349   -5.7323    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3074   -7.3839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7349   -7.3839    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.5902   -6.1461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3074   -4.9083    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.4484   -6.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5902   -6.9701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1174   -5.6633    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7036   -6.9322    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8764   -7.3839    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7863   -6.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5277   -6.9322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7631   -7.7283    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
  7 10  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
> <ID>
CHEBI:2789

> <NAME>
apraclonidine hydrochloride

> <DEFINITION>
The hydrochloride salt of apraclonidine.

> <STAR>
3

> <SYNONYM>
p-Aminoclonidine Hydrochloride; Apraclonidine HCl; 3,5-Dichloro-4-(2-imidazolidinylidenimino)aniline hydrochloride; 2-(4-Amino-2,6-dichlorophenylimino)imidazolidine hydrochloride; 2-((4-Amino-2,6-dichlorophenyl)imino)imidazolidine monohydrochloride; 2,6-Dichloro-N(1)-(4,5-dihydro-1H-imidazol-2-yl)-1,4-benzenediamine monohydrochloride; 2,6-Dichloro-N(1)-(2-imidazolidinylidene)-1,4-benzenediamine hydrochloride

> <INN>
apraclonidinum; apraclonidine; apraclonidina

> <FORMULA>
C9H11Cl3N4; C9H10Cl2N4.HCl

> <MASS>
281.56900

> <MONOISOTOPIC_MASS>
280.00493

> <CHARGE>
0

> <SMILES>
Cl.Nc1cc(Cl)c(NC2=NCCN2)c(Cl)c1

> <INCHI>
InChI=1S/C9H10Cl2N4.ClH/c10-6-3-5(12)4-7(11)8(6)15-9-13-1-2-14-9;/h3-4H,1-2,12H2,(H2,13,14,15);1H

> <INCHIKEY>
OTQYGBJVDRBCHC-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
8802997

> <CAS_REGISTRY_NUMBER>
73218-79-8

> <CHEMIDPLUS>
73218-79-8

> <DRUGBANK_ACCESSION>
DB00964

> <KEGG_DRUG_ACCESSION>
D01008

$$$$