Marvin  07121012262D          

 17 16  0  0  0  0            999 V2000
   12.7186   -4.9165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4330   -4.5040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1475   -4.9165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8619   -4.5040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7186   -5.7416    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.0040   -4.5040    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.5764   -4.9165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2909   -3.6791    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   13.4330   -3.6791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2909   -4.5040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1475   -3.2666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8619   -3.6791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0054   -4.9165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9986   -5.3359    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.5764   -3.2666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5764   -2.4416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1463   -2.6937    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  3  2  2  0  0  0  0
  9  2  1  0  0  0  0
  4  3  1  0  0  0  0
  7  4  1  0  0  0  0
 12  4  2  0  0  0  0
 10  7  1  0  0  0  0
 10  8  1  0  0  0  0
 11  9  2  0  0  0  0
 13 10  1  0  0  0  0
 12 11  1  0  0  0  0
  1 14  1  0  0  0  0
  8 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  CHG  2   8   1  17  -1
M  END
> <ID>
CHEBI:59729

> <NAME>
fenfluramine hydrochloride

> <DEFINITION>
The hydrochloride salt of fenfluramine. It binds to the serotonin reuptake pump, causing inhbition of serotonin uptake and release of serotonin. The resulting increased levels of serotonin lead to greater serotonin receptor activation which in turn lead to enhancement of serotoninergic transmission in the centres of feeding behavior located in the hypothalamus. This suppresses the appetite for carbohydrates. Fenfluramine hydrochloride was used for treatment of diabetes and obesity. It was withdrawn worldwide after reports of heart valve disease and pulmonary hypertension.

> <STAR>
3

> <SYNONYM>
NN-ethyl-alpha-methyl-3-trifluoromethylphenethylamine hydrochloride; N-ethyl-alpha-methyl-m-(trifluoromethyl)phenethylamine hydrochloride; N-ethyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine hydrochloride; fenfluramine HCl; 1-(3-trifluoromethylphenyl)-2-ethylaminopropane hydrochloride; (+-)-fenfluramine hydrochloride; (+-)-fenfluramine HCl

> <IUPAC_NAME>
N-ethyl-1-[3-(trifluoromethyl)phenyl]propan-2-aminium chloride

> <FORMULA>
C12H17ClF3N

> <MASS>
267.71800

> <MONOISOTOPIC_MASS>
267.10016

> <CHARGE>
0

> <SMILES>
[Cl-].CC[NH2+]C(C)Cc1cccc(c1)C(F)(F)F

> <INCHI>
InChI=1S/C12H16F3N.ClH/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15;/h4-6,8-9,16H,3,7H2,1-2H3;1H

> <INCHIKEY>
ZXKXJHAOUFHNAS-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
5652886

> <CAS_REGISTRY_NUMBER>
404-82-0

> <CHEMIDPLUS>
404-82-0

> <DRUGBANK_ACCESSION>
DB00574

> <KEGG_DRUG_ACCESSION>
D04148

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