927
  Mrv0541 02231215062D          

 20 20  0  0  0  0            999 V2000
    6.3947   -0.0210    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8147    0.3182    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.8723    0.4664    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0696   -0.4664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5598    1.1028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5993    0.5731    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4599   -0.8030    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0409   -0.7859    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9119   -0.5731    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0301    0.0632    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3096   -0.2760    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3534    0.7859    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9970    0.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6101   -0.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0078   -0.5731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2124    0.0210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7924   -0.3182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0474    0.4664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1273   -0.3182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5250   -0.0210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  2 10  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  6 16  2  3  0  0  0
  7 17  1  0  0  0  0
  7 19  2  0  0  0  0
  8 16  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  2  0  0  0  0
 11 20  1  0  0  0  0
 12 20  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
> <DRUGBANK_ID>
DB00927

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Famotidine

> <SYNONYMS>
Famotidina [Spanish]; Famotidinum [Latin]

> <BRANDS>
Amfamox; Antodine; Apo-Famotidine; Apogastine; Bestidine; Blocacid; Brolin; Cepal; Confobos; Cronol; Cuantin; Dibrit 40; Digervin; Dinul; Dipsin; Dispromil; Dispronil; Duovel; Durater; Evatin; Fadin; Fadine; Fadyn; Fagastine; Famo; Famocid; Famodar; Famodil; Famodin; Famodine; Famogard; Famonit; Famopsin; Famos; Famosan; Famotal; Famotep; Famotin; Famovane; Famowal; Famox; Famoxal; Famtac; Famulcer; Fanobel; Fanosin; Fanox; Farmotex; Ferotine; Fibonel; Fluxid; Fudone; Ganor; Gaster; Gastridan; Gastridin; Gastrion; Gastro; Gastrodomina; Gastrofam; Gastropen; Gastrosidin; H2 Bloc; Hacip; Huberdina; Ingastri; Invigan; Lecedil; Logos; Mensoma; Midefam; Mosul; Motiax; Muclox; Mylanta AR; Neocidine; Nevofam; Notidin; Novo-Famotidine; Nu-Famotidine; Nulceran; Nulcerin; Panalba; Pepcid; Pepcid AC; Pepcid RPD; Pepcidin; Pepcidin Rapitab; Pepcidina; Pepcidine; Pepdif; Pepdine; Pepdul; Pepfamin; Peptan; Peptidin; Peptifam; Pepzan; Purifam; Quamatel; Quamtel; Renapepsa; Restadin; Rogasti; Rubacina; Sedanium-R; Sigafam; Supertidine; Tairal; Tamin; Tipodex; Topcid; Ulcatif; Ulceprax; Ulcofam; Ulfagel; Ulfam; Ulfamid; Ulfinol; Ulgarine; Vagostal; Weimok; Whitidin; Yamarin

> <CHEMICAL_FORMULA>
C8H15N7O2S3

> <MOLECULAR_WEIGHT>
337.445

> <EXACT_MASS>
337.044934829

> <IUPAC_NAME>
3-[({2-[(diaminomethylidene)amino]-1,3-thiazol-4-yl}methyl)sulfanyl]-N'-sulfamoylpropanimidamide

> <INCHI_IDENTIFIER>
InChI=1S/C8H15N7O2S3/c9-6(15-20(12,16)17)1-2-18-3-5-4-19-8(13-5)14-7(10)11/h4H,1-3H2,(H2,9,15)(H2,12,16,17)(H4,10,11,13,14)

> <INCHI_KEY>
InChIKey=XUFQPHANEAPEMJ-UHFFFAOYSA-N

> <SMILES>
NC(N)=NC1=NC(CSCCC(N)=NS(N)(=O)=O)=CS1

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_DONOR_COUNT>
4

> <ALOGPS_LOGP>
-0.2

> <JCHEM_LOGP>
-2

> <ALOGPS_LOGS>
-3.1

> <JCHEM_POLARIZABILITY>
32.02

> <JCHEM_POLAR_SURFACE_AREA>
175.83

> <JCHEM_REFRACTIVITY>
80.46

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <ALOGPS_SOLUBILITY>
2.71e-01 g/l

$$$$