API reference

Siponimod adipic acid

CAS number: 2982813-34-1
Molecular formula: C₆₄H₈₀F₆N₄O₁₀
Molecular weight: 1,179.3 g/mol

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Siponimod adipic acid — 2D structure — 2D structure (PubChem)

Identifiers

IUPAC name: bis(1-[[4-[(E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-C-methylcarbonimidoyl]-2-ethylphenyl]methyl]azetidine-3-carboxylic acid);hexanedioic acid
InChIKey: VFTOFLKLEXKRRW-XKRCJULLSA-N
SMILES: CCC1=C(C=CC(=C1)/C(=N/OCC2=CC(=C(C=C2)C3CCCCC3)C(F)(F)F)/C)CN4CC(C4)C(=O)O.CCC1=C(C=CC(=C1)/C(=N/OCC2=CC(=C(C=C2)C3CCCCC3)C(F)(F)F)/C)CN4CC(C4)C(=O)O.C(CC(=O)O)CCC(=O)O
PubChem CID: 169490743

Also known as

SIPONIMOD HEMIADIPATE · SIPONIMOD ADIPIC ACID

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