Chemical identity

trans-Lafutidine

CAS 206449-94-7 · C22H29N3O4S

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-30007
PubChem CID5353705
Nametrans-Lafutidine
CAS RN206449-94-7
Molecular formulaC22H29N3O4S
Molecular weight431.55 g/mol
IUPAC name(E)-2-((furan-2-ylmethyl)sulfinyl)-N-(4-((4-(piperidin-1-ylmethyl)pyridin-2-yl)oxy)but-2-en-1-yl)acetamide
InChIKeyKMZQAVXSMUKBPD-GORDUTHDSA-N

02Structure identifiers

2D structurePubChem CID 5353705
Two-dimensional chemical structure of trans-Lafutidine, CAS 206449-94-7
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres1
Ring count3
Secondary amines0
Tertiary amines1
N-methyl amine sites0
SMILESC1CCN(CC1)CC2=CC(=NC=C2)OC/C=C/CNC(=O)CS(=O)CC3=CC=CO3
InChINot listed
Formula from structureC22H29N3O4S
Molecular weight from structure431.55 g/mol

03Stereochemistry

The published structure contains 0 defined and 1 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned
Unassigned centres1Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 2Before symmetry reduction

Published same-connectivity configurations

2 records

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNO EXACT MATCH FOUNDCAS 206449-94-7 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 206449-94-7 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

Lafutidine

View API and impurity family

Other names

  • rac trans-Lafutidine
  • 2-((2-Furanylmethyl)sulfinyl)-N-((2E)-4-((4-(1-piperidinylmethyl)-2-pyridinyl)oxy)-2-buten-1-yl)acetamide
  • 206449-94-7
  • RefChem:249234
  • 2-(furan-2-ylmethylsulfinyl)-N-[(E)-4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxybut-2-enyl]acetamide
  • 206449-93-6
  • (E)-2-((Furan-2-ylmethyl)sulfinyl)-N-(4-((4-(piperidin-1-ylmethyl)pyridin-2-yl)oxy)but-2-en-1-yl)acetamide
  • (Z)-2-((FURAN-2-YLMETHYL)SULFINYL)-N-(4-((4-(PIPERIDIN-1-YLMETHYL)PYRIDIN-2-YL)OXY)BUT-2-EN-1-YL)ACETAMIDE
  • 2-[(furan-2-yl)methanesulfinyl]-N-[(2E)-4-({4-[(piperidin-1-yl)methyl]pyridin-2-yl}oxy)but-2-en-1-yl]acetamide
  • Acetamide, 2-[(2-furanylmethyl)sulfinyl]-N-[(2Z)-4-[[4-(1-piperidinylmethyl)-2-pyridinyl]oxy]-2-buten-1-yl]-
  • Lafutidine Impurity 6
  • Lafutidine (E)-Isomer

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources