Marvin  09300811492D          

 20 22  0  0  0  0            999 V2000
   -2.5339   -0.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2484   -0.7661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2484   -1.5911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5339   -2.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8195   -1.5911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8195   -0.7661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1050   -0.3536    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1050   -2.0036    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3905   -1.5911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3905   -0.7661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3239   -0.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3239   -2.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0384   -1.5911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0384   -0.7661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1050    0.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8195    0.8839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8195    1.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5339    2.1214    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5339    2.9464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2484    1.7089    0.0000 C   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
  6  5  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
 10  9  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
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
> <ID>
CHEBI:8459

> <NAME>
promazine

> <DEFINITION>
A phenothiazine deriative in which the phenothiazine tricycle has a 3-(dimethylaminopropyl) group at the N-10 position.

> <STAR>
3

> <SYNONYM>
Promazine; N-Dimethylamino-1-methylethyl thiodiphenylamine; N-(3-Dimethylaminopropyl)phenothiazine; 10-(3-(Dimethylamino)propyl)phenothiazine

> <IUPAC_NAME>
N,N-dimethyl-3-(10H-phenothiazin-10-yl)propan-1-amine

> <INN>
promazinum; promazine; promazina

> <FORMULA>
C17H20N2S

> <MASS>
284.42018

> <MONOISOTOPIC_MASS>
284.13472

> <CHARGE>
0

> <SMILES>
CN(C)CCCN1c2ccccc2Sc2ccccc12

> <INCHI>
InChI=1S/C17H20N2S/c1-18(2)12-7-13-19-14-8-3-5-10-16(14)20-17-11-6-4-9-15(17)19/h3-6,8-11H,7,12-13H2,1-2H3

> <INCHIKEY>
ZGUGWUXLJSTTMA-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
244925

> <CAS_REGISTRY_NUMBER>
58-40-2

> <REAXYS_REGISTRY_NUMBER>
244925

> <CHEMIDPLUS>
58-40-2

> <DRUGBANK_ACCESSION>
DB00420

> <KEGG_COMPOUND_ACCESSION>
C07379

> <KEGG_DRUG_ACCESSION>
D08430

> <LINCS_ACCESSION>
LSM-2137

> <WIKIPEDIA_ACCESSION>
Promazine

> <PUBMED_CITATION>
1650428; 18423639; 19306624; 20825390

$$$$