Marvin  10280810522D          

 24 26  0  0  0  0            999 V2000
   -2.9759    0.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6904    0.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6904   -0.7955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9759   -1.2081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2614   -0.7955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2614    0.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5470    0.4420    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5470   -1.2081    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8325   -0.7955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8325    0.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1180    0.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1180   -1.2081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5964   -0.7955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5964    0.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5470    1.2670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2614    1.6795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9759    1.2670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2614    2.5045    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9759    2.9170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5470    2.9170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3109    0.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3109    1.2670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5964    1.6795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0254    0.0295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  7  6  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
 11 10  1  0  0  0  0
  9 10  2  0  0  0  0
  9 12  1  0  0  0  0
 11 14  2  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
  7 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 14 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 21 24  2  0  0  0  0
M  END
> <ID>
CHEBI:8491

> <NAME>
propiomazine

> <DEFINITION>
A member of the class of  phenothiazines that is 10H-phenothiazine substituted by a 2-(dimethylamino)propyl group at nitrogen atom and a propanoyl group at position 2.

> <STAR>
3

> <SYNONYM>
3-Propionyl-10-dimethylaminoisopropylphenothiazine; 2-Propionyl-10-(2-(dimethylamino)propyl)phenothiazine; 10-(2-Dimethylaminopropyl)-2-propionylphenothiazine

> <IUPAC_NAME>
1-{10-[2-(dimethylamino)propyl]-10H-phenothiazin-2-yl}propan-1-one

> <INN>
propiomazinum; propiomazine; propiomazina

> <FORMULA>
C20H24N2OS

> <MASS>
340.48344

> <MONOISOTOPIC_MASS>
340.16093

> <CHARGE>
0

> <SMILES>
CCC(=O)c1ccc2Sc3ccccc3N(CC(C)N(C)C)c2c1

> <INCHI>
InChI=1S/C20H24N2OS/c1-5-18(23)15-10-11-20-17(12-15)22(13-14(2)21(3)4)16-8-6-7-9-19(16)24-20/h6-12,14H,5,13H2,1-4H3

> <INCHIKEY>
UVOIBTBFPOZKGP-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
39712

> <CAS_REGISTRY_NUMBER>
362-29-8

> <REAXYS_REGISTRY_NUMBER>
39712

> <CHEMIDPLUS>
362-29-8

> <DRUGBANK_ACCESSION>
DB00777

> <KEGG_COMPOUND_ACCESSION>
C07405

> <KEGG_DRUG_ACCESSION>
D02361

> <WIKIPEDIA_ACCESSION>
Propiomazine

$$$$