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Lafutidine

CAT: 1596-AR-L01061-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-L01061-01Size:10 Units
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CAS Number
118288-08-7
Synonyms
(Z) -2- ((furan-2-ylmethyl) sulfinyl) -N- (4- ((4- (piperidin-1-ylmethyl) pyridin-2-yl) oxy) but-2-en-1-yl) acetamide; (+) -2-[ (2-Furanylmethyl) sulfinyl]-N-[ (2Z) -4-[[4- (1-piperidinylmethyl) -2-pyridinyl]oxy]-2-butenyl]-acetamide; (Z) - (+) -2-[ (2-Furanylmethyl) sulfinyl]-N-[4-[[4- (1-piperidinylmethyl) -2-pyridinyl]oxy]-2-butenyl]-acetamide; (+) -2-[ (2-Furanylmethyl) sulfinyl]-N-[ (2Z) -4-[[4- (1-piperidinylmethyl) -2-pyridinyl]oxy]-2-buten-1-yl]acetamide; (+) -2- (Furfurylsulfinyl) -N-[ (Z) -4-[[4- (piperidinomethyl) -2-pyridyl]oxy]-2-butenyl]acetamide; (+) -Lafutidine; FRG 8813; Laflutidine; Lafukem; Lafutidine; Protecadin; Stogar
Molecular Formula
C22H29N3O4S
Molecular Weight
431.55
API Name
Lafutidine

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
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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
B1575-50Lafutidine
TEA28814-01Dihydro lafutidine
015434Rac Lafutidine

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