API and parent drug

Siponimod

CAS 1230487-00-9 · C29H35F3N2O3 · 2 related records

01API identity and structure

2D structurePubChem CID 44599207
2D structure: Siponimod, CAS 1230487-00-9
Structure of Siponimod (CAS 1230487-00-9). LazyChem record. Source identity: PubChem CID 44599207. Confirm the identifiers before analytical use.Download structure image
API / medicine nameSiponimod
CAS RN1230487-00-9
PubChem CID44599207
Molecular formulaC29H35F3N2O3
Molecular weight516.6 g/mol
IUPAC name1-[[4-[(E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-C-methylcarbonimidoyl]-2-ethylphenyl]methyl]azetidine-3-carboxylic acid
Defined stereocentres0
Unassigned stereocentres0
SMILESCCC1=C(C=CC(=C1)/C(=N/OCC2=CC(=C(C=C2)C3CCCCC3)C(F)(F)F)/C)CN4CC(C4)C(=O)O
InChINot listed
InChIKeyKIHYPELVXPAIDH-HNSNBQBZSA-N

02Structural 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.

03India 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 1230487-00-9 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Sources