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Lafutidine

CAT: 0607-B1575-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-B1575-50Size:50 mg
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Description
Histamine H2-receptor antagonist
CAS Number
118288-08-7
Product Name Alternative
2-(furan-2-ylmethylsulfinyl)-N-[(Z)-4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxybut-2-enyl]acetamide
Field of Research
Neuroscience Histamine Receptor
Purity
0.9862
Form
A solid
Solubility
insoluble in H2O; ≥21.58 mg/mL in DMSO; ≥3.44 mg/mL in EtOH
Smiles
C1CCN(CC1)CC2=CC(=NC=C2)OCC=CCNC(=O)CS(=O)CC3=CC=CO3
Molecular Formula
C22H29N3O4S
Molecular Weight
431.55
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Lafutidine

Lafutidine is an organic molecular entity.

CAS Number118288-08-7
PubChem CID5282136
IUPAC Name2-(furan-2-ylmethylsulfinyl)-N-[(Z)-4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enyl]acetamide
Molecular FormulaC22H29N3O4S
Molecular Weight431.6
XLogP1.4
Topological Polar Surface Area104
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Heavy Atom Count30
Formal Charge0
Complexity569
SMILES
C1CCN(CC1)CC2=CC(=NC=C2)OC/C=C\CNC(=O)CS(=O)CC3=CC=CO3
InChI
InChI=1S/C22H29N3O4S/c26-21(18-30(27)17-20-7-6-14-28-20)23-9-2-5-13-29-22-15-19(8-10-24-22)16-25-11-3-1-4-12-25/h2,5-8,10,14-15H,1,3-4,9,11-13,16-18H2,(H,23,26)/b5-2-
InChIKey
KMZQAVXSMUKBPD-DJWKRKHSSA-N
Chemical Structure
2D Structure
2D structure of Lafutidine
CAS: 118288-08-7
CID: 5282136
Formula: C22H29N3O4S
MW: 431.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight431.6
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Exact Mass431.18787759
Monoisotopic Mass431.18787759
Topological Polar Surface Area104 Ų
Heavy Atom Count30
Formal Charge0
Complexity569
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
FP145753-01Lafutidine
TEA28814-01Dihydro lafutidine
015434Rac Lafutidine
A11714-100Lafutidine 100mg
A11714-10Lafutidine 10mg

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