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Lavoltidine

CAT: 0931-T15722-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T15722-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
76956-02-0
Target
Histamine Receptor
Related Pathways
Neuroscience, Immunology/Inflammation, GPCR/G Protein
Purity
0.9836
Bioactivity
Lavoltidine (Loxtidine) is a potent and selective H2 receptor antagonist, orally active and irreversible, that inhibits gastric acid secretion and is used in the treatment of gastroesophageal reflux disease.
Smiles
OCC=1N=C(NCCCOC2=CC=CC(=C2)CN3CCCCC3)N(N1)C
Molecular Formula
C19H29N5O2
Molecular Weight
359.47
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Loxtidine

Loxtidine is a triazole that consists of 1,2,4-triazole bearing a methyl substituent at position 1, a hydroxymethyl substituent at position 3 and a {3-[3-(piperidin-1-ylmethyl)phenoxy]propyl}amino group at position 5. A highly potent and selective H2-receptor antagonist. It has a role as a H2-receptor antagonist. It is a primary alcohol, a member of piperidines, an aromatic ether and a member of triazoles.

CAS Number76956-02-0
PubChem CID55473
IUPAC Name[1-methyl-5-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]-1,2,4-triazol-3-yl]methanol
Molecular FormulaC19H29N5O2
Molecular Weight359.5
XLogP2.2
Topological Polar Surface Area75.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count26
Formal Charge0
Complexity394
SMILES
CN1C(=NC(=N1)CO)NCCCOC2=CC=CC(=C2)CN3CCCCC3
InChI
InChI=1S/C19H29N5O2/c1-23-19(21-18(15-25)22-23)20-9-6-12-26-17-8-5-7-16(13-17)14-24-10-3-2-4-11-24/h5,7-8,13,25H,2-4,6,9-12,14-15H2,1H3,(H,20,21,22)
InChIKey
VTLNPNNUIJHJQB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Loxtidine
CAS: 76956-02-0
CID: 55473
Formula: C19H29N5O2
MW: 359.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight359.5
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass359.23212518
Monoisotopic Mass359.23212518
Topological Polar Surface Area75.4 Ų
Heavy Atom Count26
Formal Charge0
Complexity394
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5769277Lavoltidine
MBS5782177Lavoltidine succinate

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