API and parent drug

Iopamidol

CAS 60166-93-0 · C17H22I3N3O8 · 10 related records

01API identity and structure

2D structurePubChem CID 65492
2D structure: Iopamidol, CAS 60166-93-0
Structure of Iopamidol (CAS 60166-93-0). LazyChem record. Source identity: PubChem CID 65492. Confirm the identifiers before analytical use.Download structure image
API / medicine nameIopamidol
CAS RN60166-93-0
PubChem CID65492
Molecular formulaC17H22I3N3O8
Molecular weight777.09 g/mol
IUPAC nameN,N′-Bis[2-hydroxy-1-(hydroxymethyl)ethyl]-5-[[(2S)-2-hydroxypropanoyl]amino]-2,4,6-triiodobenzene-1,3-dicarboxamide
Defined stereocentres1
Unassigned stereocentres0
SMILESC[C@@H](C(=O)NC1=C(C(=C(C(=C1I)C(=O)NC(CO)CO)I)C(=O)NC(CO)CO)I)O
InChINot listed
InChIKeyXQZXYNRDCRIARQ-LURJTMIESA-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 60166-93-0 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

06Sources