863
  Mrv0541 02231215032D          

 21 21  0  0  0  0            999 V2000
    6.6282   -0.5856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.6934   -1.3677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6501    0.0507    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.6063    1.1127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7587   -0.5856    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4457   -0.5435    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0041    0.8156    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4348    0.3057    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   10.1456   -1.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3609   -0.8827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0259   -0.8827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2412   -1.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1059   -0.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2809   -0.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8435   -0.8406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2304   -0.2885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5871    0.2214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5434   -0.8406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8326    0.0086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0479   -0.2464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3909    1.3677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 15  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3  8  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6 16  1  0  0  0  0
  6 19  1  0  0  0  0
  7 19  1  0  0  0  0
  7 21  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  1  0  0  0  0
 10 13  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  2  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 19 20  2  0  0  0  0
M  CHG  2   3  -1   8   1
M  END
> <DRUGBANK_ID>
DB00863

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Ranitidine

> <SYNONYMS>
Ranitidine HCL; Ranitidine hydrochloride; Rantidine HCL

> <BRANDS>
Alquen; Alter-H2; Alvidina; Apo-Ranitidin; Artomil; Azuranit; Coralen; Digestosan; Ergan; Esofex; Fendibina; Gastrial; Gastridina; Gastrolav; Gastrosedol; Kuracid; Label; Lake; Logat; Melfax; Microtid; Mideran; Neugal; Noctone; Noktome; Normon; Novo-Radinine; Nu-Ranit; Pep-Rani; Ptinolin; Quadrin; Quantor; Radin; RAN; Ran H2; Ran Lich; Rani 2; Rani AbZ; Rani-BASF; Rani-nerton; Rani-Puren; Rani-Q; Rani-Sanorania; Raniben; Raniberl; Raniberta; Ranibloc; Ranic; Ranicux; Ranidil; Ranidin; Ranidine; Ranidura; Ranifur; Ranigasan; Ranigast; Ranigen; Ranilonga; Ranimerck; Raniogas; Raniplex; Ranisan; Ranitab; Ranitic; Ranitidin; Ranitidin 1A Pharma; Ranitidin AL; Ranitidin Arcana; Ranitidin Atid; Ranitidin AWD; Ranitidin Basics; Ranitidin Duncan; Ranitidin Dyna; Ranitidin Helvepharm; Ranitidin Heumann; Ranitidin Hexal; Ranitidin Merck; Ranitidin Millet; Ranitidin NM; Ranitidin Normon; Ranitidin PB; Ranitidin Stada; Ranitidin von ct; Ranitidin-Cophar; Ranitidin-Isis; Ranitidin-ratiopharm; Ranitidina predilu Grif; Ranitidina Tamarang; Ranitiget; Ranitin; Ranitine; Ranobel; Rantacid; Ranuber; Raticina; Regalil; Renatac; Rozon; Rubiulcer; Santanol; Serviradine; Sostril; Tanidina; Taural; Terposen; Toriol; Trigger; Ulcecur; Ulcex; Ulcirex; Ulcodin; Ulcolind Rani; Ulsaven; Ultidine; Viserul; Zandid; Zantac; Zantac 150; Zantac 75; Zantac In Plastic Container; Zantarac; Zantic

> <CHEMICAL_FORMULA>
C13H22N4O3S

> <MOLECULAR_WEIGHT>
314.404

> <EXACT_MASS>
314.14126128

> <IUPAC_NAME>
dimethyl[(5-{[(2-{[(E)-1-(methylamino)-2-nitroethenyl]amino}ethyl)sulfanyl]methyl}furan-2-yl)methyl]amine

> <INCHI_IDENTIFIER>
InChI=1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3/b13-9+

> <INCHI_KEY>
InChIKey=VMXUWOKSQNHOCA-UKTHLTGXSA-N

> <SMILES>
CN\C(NCCSCC1=CC=C(CN(C)C)O1)=C/[N+]([O-])=O

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_DONOR_COUNT>
2

> <ALOGPS_LOGP>
0.79

> <JCHEM_LOGP>
0.98

> <ALOGPS_LOGS>
-3.6

> <JCHEM_POLARIZABILITY>
33.58

> <JCHEM_POLAR_SURFACE_AREA>
86.26

> <JCHEM_REFRACTIVITY>
95.15

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <ALOGPS_SOLUBILITY>
7.95e-02 g/l

$$$$