API and parent drug

Lafutidine

CAS 118288-08-7 · C22H29N3O4S · 19 related records

01API identity and structure

2D structurePubChem CID 5282136
2D structure: Lafutidine, CAS 118288-08-7
Structure of Lafutidine (CAS 118288-08-7). LazyChem record. Source identity: PubChem CID 5282136. Confirm the identifiers before analytical use.Download structure image
API / medicine nameLafutidine
CAS RN118288-08-7
PubChem CID5282136
Molecular formulaC22H29N3O4S
Molecular weight431.6 g/mol
IUPAC name2-(furan-2-ylmethylsulfinyl)-N-[(Z)-4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enyl]acetamide
Defined stereocentres0
Unassigned stereocentres1
SMILESC1CCN(CC1)CC2=CC(=NC=C2)OC/C=C\CNC(=O)CS(=O)CC3=CC=CO3
InChINot listed
InChIKeyKMZQAVXSMUKBPD-DJWKRKHSSA-N

02Stereochemistry

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

Defined stereocentres02D structure
Unassigned stereocentres12D structure
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.

03Structural nitrosamine screen

Record-level resultNo candidate is published

No record-level structural candidate is currently published for this identity.

This result does not predict manufacturing conditions, formation, analytical findings or absence of risk. A process-specific assessment is required.

04India status for this compound

The result below applies only to this exact compound identity and CAS number.

NDPS / RCSNOT FOUND IN REVIEWED ENTRIESNo exact reviewed identity entry was found. Generic, class, analogue, salt and isomer provisions were not evaluated. Confirm the current official schedule before a regulatory decision.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 118288-08-7 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

06Sources