API and parent drug

Tiamulin Fumarate

CAS 55297-96-6 · C32H51NO8S · 0 related records

01API identity and structure

2D structure: Tiamulin Fumarate, CAS 55297-96-6
Structure of Tiamulin Fumarate (CAS 55297-96-6). LazyChem record. Source identity: PubChem CID 23725049. Confirm the identifiers before analytical use.Download structure image
API / medicine nameTiamulin Fumarate
CAS RN55297-96-6
PubChem CID23725049
Molecular formulaC32H51NO8S
Molecular weight609.8 g/mol
IUPAC name(E)-but-2-enedioic acid;[(1S,2R,3S,4S,6R,7R,8R,14R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[2-(diethylamino)ethylsulfanyl]acetate
Defined stereocentres8
Unassigned stereocentres0
SMILESCCN(CC)CCSCC(=O)O[C@@H]1C[C@@]([C@H]([C@@H]([C@@]23CC[C@H]([C@@]1([C@@H]2C(=O)CC3)C)C)C)O)(C)C=C.C(=C/C(=O)O)\C(=O)O
InChINot listed
InChIKeyYXQXDXAHCSEVSD-GCYNEOGWSA-N

02Stereochemistry

The published structure contains 8 defined and 0 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres82D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 256Before symmetry reduction

Published same-connectivity configurations

1 record

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.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

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 55297-96-6 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

06Sources