API and parent drug

Nifurtimox

CAS 23256-30-6 · C10H13N3O5S · 3 related records

01API identity and structure

2D structurePubChem CID 6842999
2D structure: Nifurtimox, CAS 23256-30-6
Structure of Nifurtimox (CAS 23256-30-6). LazyChem record. Source identity: PubChem CID 6842999. Confirm the identifiers before analytical use.Download structure image
API / medicine nameNifurtimox
CAS RN23256-30-6
PubChem CID6842999
Molecular formulaC10H13N3O5S
Molecular weight287.29 g/mol
IUPAC name(E)-N-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(5-nitrofuran-2-yl)methanimine
Defined stereocentres0
Unassigned stereocentres1
SMILESCC1CS(=O)(=O)CCN1/N=C/C2=CC=C(O2)[N+](=O)[O-]
InChINot listed
InChIKeyARFHIAQFJWUCFH-IZZDOVSWSA-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

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 23256-30-6 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

06Sources