API and parent drug

Liothyronine

CAS 6893-02-3 · C15H12I3NO4 · 5 related records

01API identity and structure

2D structurePubChem CID 5920
2D structure: Liothyronine, CAS 6893-02-3
Structure of Liothyronine (CAS 6893-02-3). LazyChem record. Source identity: PubChem CID 5920. Confirm the identifiers before analytical use.Download structure image
API / medicine nameLiothyronine
CAS RN6893-02-3
PubChem CID5920
Molecular formulaC15H12I3NO4
Molecular weight650.97 g/mol
IUPAC name(2S)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoic acid
Defined stereocentres1
Unassigned stereocentres0
SMILESC1=CC(=C(C=C1OC2=C(C=C(C=C2I)C[C@@H](C(=O)O)N)I)I)O
InChINot listed
InChIKeyAUYYCJSJGJYCDS-LBPRGKRZSA-N

02Stereochemistry

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

Defined stereocentres12D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 2Before 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 6893-02-3 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

06Sources