Ranitidine

A summary of the most common chemical descriptors (InChI Key and SMILES codes) for Ranitidine are summarized together with 3D and 2D structures and relevant physico-chemical properties.

What is the Ranitidine?

The molecule Ranitidine presents a molecular formula of C13H22N4O3S and its IUPAC name is (E)-1-N'-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1-N-methyl-2-nitroethene-1,1-diamine.

Ranitidine is a medication that decreases the amount of acid produced in the stomach. It is used to treat heartburn and ulcers. Ranitidine is also used to treat gastroesophageal reflux disease (GERD) and Zollinger-Ellison syndrome. The drug exists as an over-the-counter (OTC) medication and a prescription drug. Ranitidine is sold under the brand names Zantac and Taladine..

Ranitidine belongs to a class of drugs called histamine-2 (H2) blockers. H2 blockers work by blocking the action of histamine, a substance in the body that increases acid production. Ranitidine is an H2 blocker that exists as an OTC medication and a prescription drug..

Ranitidine is used to treat heartburn, ulcers, gastroesophageal reflux disease (GERD), and Zollinger-Ellison syndrome. The drug is also used to prevent heartburn and ulcers caused by nonsteroidal anti-inflammatory drugs (NSAIDs)..

Ranitidine exists as a tablet, an orally disintegrating tablet, a capsule, and a syrup. The drug is usually taken two or four times a day. The OTC ranitidine tablets are available in 75 mg and 150 mg strengths. The prescription ranitidine tablets are available in 150 mg and 300 mg strengths. The OTC ranitidine orally disintegrating tablets are available in 75 mg and 150 mg strengths. The prescription ranitidine capsules are available in 150 mg and 300 mg strengths. The OTC and prescription ranitidine syrup exists in a concentration of 16.7 mg/mL..

Ranitidine may interact with other medications. Tell your doctor all medications and supplements you use. Ranitidine should be used during pregnancy only if the potential benefit justifies the potential risk to the fetus. Ranitidine passes into breast milk and may harm a nursing baby. Consult your doctor before breastfeeding..

3D structure

Cartesian coordinates

Geometry of Ranitidine in x, y and z coordinates (Å units) to copy/paste elsewhere. Generated with Open Babel software.

2D drawing

 

Ranitidine VMXUWOKSQNHOCA-UKTHLTGXSA-N chemical compound 2D structure molecule svg
Ranitidine

 

Molecule descriptors

 
IUPAC name(E)-1-N'-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1-N-methyl-2-nitroethene-1,1-diamine
InChI codeInChI=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 KeyVMXUWOKSQNHOCA-UKTHLTGXSA-N
SMILESCN/C(=C\[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1

Other names (synonyms)

IUPAC nomenclature provides a standardized method for naming chemical compounds. Although this system is widely used in chemistry, many chemical compounds have also other names commonly used in different contexts. These synonyms can come from a variety of sources and are used for a variety of purposes.

One common source of synonyms for chemical compounds is the common or trivial names, assigned on the basis of appearance, properties, or origin of the molecule.

Another source of synonyms are historical or obsolete names employed in the past, however replaced nowadays by more modern or standardized names.

In addition to common and historical names, chemical compounds may also have synonyms that are specific to a particular field or industry.

  • (1E)-N-[2-[[[5-[(Dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-N'-methyl-2-nitro-1,1-ethenediamine
  • (E)-1-N'-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1-N-methyl-2-nitroethene-1,1-diamine
  • (E)-N-(2-(((5-((Dimethylamino)methyl)furan-2-yl)methyl)thio)ethyl)-N-methyl-2-nitroethene-1,1-diamine
  • (E)-N-(2-((5-((dimethylamino)methyl)furan-2-yl)methylthio)ethyl)-N-methyl-2-nitroethene-1,1-diamine
  • (E)-N-{2-[({5-[(dimethylamino)methyl]-2-furyl}methyl)sulfanyl]ethyl}-N'-methyl-2-nitroethene-1,1-diamine
  • (E)-N-{2-[({5-[(dimethylamino)methyl]furan-2-yl}methyl)sulfanyl]ethyl}-N'-methyl-2-nitroethene-1,1-diamine
  • (E)-N1'-[2-[[5-(dimethylaminomethyl)-2-furyl]methylsulfanyl]ethyl]-N1-methyl-2-nitro-ethene-1,1-diamine
  • (E)-N1'-[2-[[5-[(dimethylamino)methyl]-2-furyl]methylsulfanyl]ethyl]-N1-methyl-2-nitro-ethene-1,1-diamine;Ranitidine base
  • (E)-ranitidine
  • ({5-[(2-{[(1E)-1-(methylamino)-2-nitrovinyl]amino}ethylthio)methyl](2-furyl)}m ethyl)dimethylamine
  • 1,1-Ethenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-N'-methyl-2-nitro-
  • 1,1-Ethenediamine, N-[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-N'-methyl-2-nitro-
  • 1,1-Ethenediamine, N-[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-N'-methyl-2-nitro-, (E)-
  • 357R355
  • 66357-35-5
  • 66357-35-5 (free base)
  • 71130-06-8
  • 82530-72-1
  • A835434
  • A899862
  • AB00052223-10
  • AB00052223_11
  • AB00052223_12
  • AC-12712
  • Acidex
  • Achedos
  • Atural
  • Axoban
  • BCP21325
  • BDBM22893
  • BDBM237183
  • BIDD:GT0179
  • BR166204
  • CCG-39025
  • CS-0009591
  • Coralen
  • D00422
  • D97790
  • DSSTox_CID_25191
  • DSSTox_GSID_45191
  • DSSTox_RID_80738
  • Duractin
  • Epitope ID:127515
  • Ezopta
  • GTPL1234
  • Gastrial
  • Gastrosedol
  • Gavilast
  • HMS1921L07
  • HMS2092H15
  • HMS3886A16
  • HMS501F22
  • HY-B0693
  • IDI1_000440
  • Istomar
  • KS-5230
  • L000504
  • Logast
  • Lopac-R-101
  • Lopac0_001073
  • MFCD00081180
  • Mauran
  • Microtid
  • N'-[2-[[5-(Dimethylaminomethyl)-2-furyl]methylsulfanyl]ethyl]-N-methyl-2-nitro-ethene-1,1-diamine hydrochloride
  • N-[(E)-1-(Methylamino)-2-nitroethenyl]-2-[[[2-[(dimethylamino)methyl]-5-furanyl]methyl]thio]ethanamine
  • N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-N'-methyl-2-nitroethene-1,1-diamine
  • N-[2-[[5-[(Dimethylamino)methyl]furfuryl]thio]ethyl]-N'-methyl-2-nitro-1,1-ethenediamine
  • N-[2-[[5-[(Dimethylamino)methyl]furfuryl]thio]ethyl]-N'-methyl-2-nitro-1,1-ethylenediamine
  • N-[2-[[5-[(dimethylamino)methyl]furfuryl]thio]ethyl]-N'-methyl-2-nitrovinylidenediamine monohydrochloride;Ranitidine HCl
  • N1'-[2-[[5-[(dimethylamino)methyl]-2-furanyl]methylthio]ethyl]-N1-methyl-2-nitroethene-1,1-diamine
  • NCGC00015876-01
  • NCGC00015876-02
  • NCGC00015876-03
  • NCGC00015876-04
  • NCGC00015876-05
  • NCGC00015876-06
  • NCGC00015876-07
  • NCGC00015876-08
  • NCGC00015876-09
  • NCGC00015876-11
  • NCGC00015876-16
  • NCGC00018108-01
  • NCGC00018108-02
  • NCGC00018108-03
  • NCGC00024387-02
  • NCGC00094913-01
  • NCGC00094913-02
  • NCGC00094913-03
  • NCGC00094913-04
  • NCGC00094913-05
  • NCGC00256269-01
  • NSC757851
  • Pharmakon1600-01501151
  • Prestwick2_000201
  • Ptinolin
  • Q21971328
  • Quantor
  • Quicran
  • RND
  • Radinat
  • Randin
  • Ranidine
  • Ranin
  • Raniogas
  • Ranisen
  • Raniter
  • Ranitidina
  • Ranitidine
  • Ranitidine (Form I And Form Ii)
  • Ranitidine (USAN/INN)
  • Ranitidine Base
  • Ranitidine HCL 1/2 Type
  • Ranitidine Impurity J
  • Ranitidine free base
  • Ranitidinum
  • Ranitiget
  • Rantacid
  • Rantidine
  • Ratic
  • Raticina
  • SBI-0051043.P003
  • SDCCGSBI-0051043.P004
  • SPECTRUM1501151
  • SR-01000075288
  • SR-01000075288-3
  • STK619092
  • Sampep
  • Taural
  • Tocris-1967
  • Ul-Pep
  • Ulceranin
  • Urantac
  • Verlost
  • Vesyca
  • Vizerul
  • Weichilin
  • Weidos
  • Xanidine
  • ZANTAC
  • Zantab
  • Zantadin
  • dimethyl[(5-{[(2-{[(E)-1-(methylamino)-2-nitroethenyl]amino}ethyl)sulfanyl]methyl}furan-2-yl)methyl]amine
  • n-[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-n'-methyl-2-nitro-1,1-ethenediamine
  • ranitidine
  • s5662
  • {2-[({5-[(dimethylamino)methyl]furan-2-yl}methyl)sulfanyl]ethyl}[(E)-1-(methylamino)-2-nitroethenyl]amine

Reference codes for other databases

There exist several different chemical codes commonly used in orded to identify molecules:
  • ZINC1530728
  • CAS-66357-35-5
  • CAS-66357-59-3
  • AKOS005552967
  • BRD-K70505054-001-02-9
  • DTXSID101112063
  • CHEMBL512
  • CHEBI:8776
  • CHEBI:92246
  • Tox21_110250
  • Tox21_302372
  • Tox21_110250_1
  • Spectrum5_001189

Physico-Chemical properties

IUPAC name(E)-1-N'-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1-N-methyl-2-nitroethene-1,1-diamine
Molecular formulaC13H22N4O3S
Molecular weight314.404
Melting point (ºC)
Boiling point (ºC)
Density (g/cm3)
Molar refractivity86.01
LogP2.8
Topological polar surface area111.6

LogP and topological polar surface area (TPSA) values were estimated using Open Babel software.

The n-octanol/water partition coeficient (Kow) data is applied in toxicology and drug research. Kow values are used, to guess the environmental fate of persistent organic pollutants. High partition coefficients values, tend to accumulate in the fatty tissue of organisms. Molecules with a log(Kow) (or LogP) greater than 5 are considered to bioaccumulate.

TPSA values are the sum of the surface area over all polar atoms or molecules, mainly oxygen and nitrogen, also including hydrogen atoms.

In medicinal chemistry, TPSA is used to assess the ability of a drug to permeabilise cells.

For molecules to penetrate the blood-brain barrier (and act on receptors in the central nervous system), TPSA values below 90 Å2 are required. Thus, molecules with a polar surface area greater than 140 Å2 tend to be poorly permeable to cell membranes.