Marvin  07101213162D          

 24 26  0  0  0  0            999 V2000
    9.0626   -9.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3481  -10.3704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3481  -11.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0626  -11.6079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7770  -11.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7770  -10.3704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4915   -9.9579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4915  -11.6079    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.2060  -11.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2060  -10.3704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9204   -9.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9204  -11.6079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6348  -11.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6348  -10.3704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3493   -9.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4915   -9.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7770   -8.7205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7770   -7.8954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0626   -7.4830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0626   -6.6580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3481   -7.8954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0638  -10.3705    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.0649   -9.5422    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.3492   -9.1347    0.0000 F   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  2  0  0  0  0
 10  9  1  0  0  0  0
  9 12  2  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
  7 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
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 15 22  1  0  0  0  0
 15 23  1  0  0  0  0
 15 24  1  0  0  0  0
M  END
> <ID>
CHEBI:9711

> <NAME>
triflupromazine

> <DEFINITION>
A member of the class of phenothiazines that is 10H-phenothiazine having a trifluoromethyl subsitituent at the 2-position and a 3-(dimethylamino)propyl group at the N-10 position.

> <STAR>
3

> <SYNONYM>
trifluopromazine; 2-Trifluoromethyl-10-(gamma-dimethylaminopropyl)phenothiazine; 2-(Trifluoromethyl)promazine; 10-(3-(Dimethylamino)propyl)-2-(trifluoromethyl)phenothiazine

> <IUPAC_NAME>
N,N-dimethyl-3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propan-1-amine

> <INN>
triflupromazinum; triflupromazine; triflupromazina

> <FORMULA>
C18H19F3N2S

> <MASS>
352.41700

> <MONOISOTOPIC_MASS>
352.12210

> <CHARGE>
0

> <SMILES>
CN(C)CCCN1c2ccccc2Sc2ccc(cc12)C(F)(F)F

> <INCHI>
InChI=1S/C18H19F3N2S/c1-22(2)10-5-11-23-14-6-3-4-7-16(14)24-17-9-8-13(12-15(17)23)18(19,20)21/h3-4,6-9,12H,5,10-11H2,1-2H3

> <INCHIKEY>
XSCGXQMFQXDFCW-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
335308

> <CAS_REGISTRY_NUMBER>
146-54-3

> <REAXYS_REGISTRY_NUMBER>
335308

> <CHEMIDPLUS>
146-54-3

> <DRUGBANK_ACCESSION>
DB00508

> <KEGG_DRUG_ACCESSION>
D00390

> <LINCS_ACCESSION>
LSM-3421

> <WIKIPEDIA_ACCESSION>
Triflupromazine

> <PUBMED_CITATION>
1650428; 24959397

$$$$