Lafutidine | CAS No. 118288-08-7

Lafutidine

Basic Information

CAS Number

118288-08-7

Molecular Formula

C22H29N3O4S

Molecular Weight

431.56 g/mol

AD

Basic Physical Properties

Physical State

Powder

Melting Point

97.0 to 101.0 deg-C

Boiling Point

704.2°C at 760 mmHg

Density

1.252

Flash Point

379.7 °C

Refractive Index

1.598

C1CCN(CC1)CC2=CC(=NC=C2)OCC=CCNC(=O)CS(=O)CC3=CC=CO3

InChI

InChI=1S/C22H29N3O4S/c26-21(18-30(27)17-20-9-7-15-28-20)23-10-2-5-14-29-22-19(8-6-11-24-22)16-25-12-3-1-4-13-25/h2,5-9,11,15H,1,3-4,10,12-14,16-18H2,(H,23,26)/b5-2-

InChIKey

ZPCZPXJIAUUKEH-DJWKRKHSSA-N

LogP

2.6606000000000005

Topological Polar Surface Area

84.67 Ų

Hydrogen Bond Donor/Acceptor

1 / 7

Complexity

569

Safety Information

View Safety Information

GHS Hazard Pictograms

H302H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

  • Lafutidine [INN:JAN:WHO-DD]
  • (+-)-2-(Furfurylsulfinyl)-N-(4-(4-(piperidinomethyl)-2-pyridyl)oxy-(Z)-2-butenyl)acetamide
  • CAS-118288-08-7
  • (Z)-Lafutidine
  • Acetamide, 2-[(2-furanylmethyl)sulfinyl]-N-[(2Z)-4-[[4-(1-piperidinylmethyl)-2-pyridinyl]oxy]-2-buten-1-yl]-
  • DTXCID8026434
  • 118288-08-7
  • 118288-08-7 (free base)
  • SCHEMBL362540
  • Lafutidine, >=98% (HPLC)
  • s2065
  • Lafutidine (JP17/INN)
  • F77861
  • L001355
  • 49S4O7ADLC
  • (Z)-2-((FURAN-2-YLMETHYL)SULFINYL)-N-(4-((4-(PIPERIDIN-1-YLMETHYL)PYRIDIN-2-YL)OXY)BUT-2-EN-1-YL)ACETAMIDE
  • AKOS005146275
  • HY-B0160
  • J-521629
  • Lafutidine [JAN]
  • DB12770
  • CS-1992
  • Lafutidine [WHO-DD]
  • Tox21_112179
  • CHEMBL1742461
  • CHEBI:31759
  • Acetamide, 2-((2-furanylmethyl)sulfinyl)-N-(4-((4-(1-piperidinylmethyl)-2-pyridinyl)oxy)-2-butenyl)-, (Z)-
  • AB01565815_02
  • Q582556
  • (+/-)-2-(Furfurylsulfinyl)-N-((Z)-4-((4-(piperidinomethyl)-2-pyridyl)oxy)-2-butenyl) acetamide
  • MLS006011259

MDL Number

MFCD00867520

Customs Code

2929909090

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