IUPAC name
dimethyl[(5-{[(2-{[(E)-1-(methylamino)-2-nitroethenyl]amino}ethyl)sulfanyl]methyl}furan-2-yl)methyl]amine
SMILES
CN\C(NCCSCC1=CC=C(CN(C)C)O1)=C/[N+]([O-])=O
Compound class
Anti-Ulcer Agents; Alimentary Tract and Metabolism; Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord); Drugs for Acid Related Disorders; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; H2 Antagonists; Combined Inhibitors of CYP3A4 and P-glycoprotein;
Therapeutic area
Used in the treatment of peptic ulcer disease (PUD), dyspepsia, stress ulcer prophylaxis, and gastroesophageal reflux disease (GERD).
Common name
Ranitidine
IUPAC name
dimethyl[(5-{[(2-{[(E)-1-(methylamino)-2-nitroethenyl]amino}ethyl)sulfanyl]methyl}furan-2-yl)methyl]amine
SMILES
CN\C(NCCSCC1=CC=C(CN(C)C)O1)=C/[N+]([O-])=O
INCHI
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+
FORMULA
C13H22N4O3S
Common name
Ranitidine
IUPAC name
dimethyl[(5-{[(2-{[(E)-1-(methylamino)-2-nitroethenyl]amino}ethyl)sulfanyl]methyl}furan-2-yl)methyl]amine
Molecular weight
314.404
clogP
0.642
clogS
-3.719
HBond Acceptor
4
HBond Donor
2
Total Polar Surface Area
117.55
Number of Rings
1
Rotatable Bond
10
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00040 | ethanamine |
|
CCN | 0.0677 |
| FDBF00052 | methylsulfanylmethane |
|
S(C)C | 0.0072 |
| FDBF00064 | N,N-dimethylmethanamine |
|
N(C)(C)C | 0.0371 |
| FDBF00099 | ethanethiol |
|
CCS | 0.0165 |
| FDBF01001 | furan |
|
o1cccc1 | 0.0079 |
| FDBF01618 | 2-methylfuran |
|
Cc1occc1 | 0.0055 |
| FDBF01926 | 2,5-dimethylfuran |
|
o1c(ccc1C)C | 0.0010 |
| FDBF01928 | (5-methyl-2-furyl)methanethiol |
|
o1c(ccc1CS)C | 0.0003 |
| FDBF01929 | 2-(methylsulfanylmethyl)furan |
|
o1cccc1CSC | 0.0003 |
| FDBF01934 | 2-(ethylsulfanylmethyl)-5-methyl-furan |
|
CCSCc1oc(cc1)C | 0.0003 |
