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Ranitidin

CAT: 0013-GTR19158651-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19158651-05Size:25 mg
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Description
Ranitidine is a non-imidazole blocker of those histamine receptors that mediate gastric secretion (H2 receptors) . It is used to treat gastrointestinal ulcers.
CAS Number
66357-35-5
Purity
>98% (HPLC)
Smiles
CN/C (=C\[N+] (=O) [O-]) /NCCSCc1ccc (o1) CN (C) C
Molecular Formula
C13H22N4O3S
Molecular Weight
314.4
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Ranitidine

Ranitidine is a member of the class of furans used to treat peptic ulcer disease (PUD) and gastroesophageal reflux disease. It has a role as a xenobiotic, a H2-receptor antagonist, an anti-ulcer drug, an environmental contaminant and a drug allergen. It is an organic sulfide, a member of furans, a C-nitro compound and a tertiary amino compound.

CAS Number66357-35-5
PubChem CID3001055
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 Weight314.41
XLogP0.3
Topological Polar Surface Area112
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count21
Formal Charge0
Complexity347
SMILES
CN/C(=C\[N+](=O)[O-])/NCCSCC1=CC=C(O1)CN(C)C
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+
InChIKey
VMXUWOKSQNHOCA-UKTHLTGXSA-N
Chemical Structure
2D Structure
2D structure of Ranitidine
CAS: 66357-35-5
CID: 3001055
Formula: C13H22N4O3S
MW: 314.41
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight314.41
XLogP30.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass314.14126175
Monoisotopic Mass314.14126175
Topological Polar Surface Area112 Ų
Heavy Atom Count21
Formal Charge0
Complexity347
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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