Products 2315287-12-6

CAS 2315287-12-6 is the registry number for Tofacitinib Related Compound 33. Offered by: Chemat Brand. Available pack sizes: on request.

Tofacitinib Related Compound 33
Chemat Brand
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  • Variants: 1
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Structural formula: {0} (CAS {1})

3-hydroxy-2-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidine-1-carbonyl]-3-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]pentanedinitrile (CAS 2315287-12-6) is a chemical compound with the molecular formula C32H40N12O2 and a molecular weight of 624.7 g/mol. IUPAC name: 3-hydroxy-2-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidine-1-carbonyl]-3-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]pentanedinitrile. InChIKey: LPXKSQHHOLVSEQ-LBDFMFEVSA-N.

Identity
Molecular formulaC32H40N12O2
Molecular weight624.7 g/mol
IUPAC name3-hydroxy-2-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidine-1-carbonyl]-3-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]pentanedinitrile
InChIKeyLPXKSQHHOLVSEQ-LBDFMFEVSA-N
SMILESC[C@@H]1CCN(C[C@@H]1N(C)C2=NC=NC3=C2C=CN3)C(=O)C(C#N)C(CC#N)(N4CC[C@H]([C@H](C4)N(C)C5=NC=NC6=C5C=CN6)C)O

Computed by PubChem (NCBI)

Isomers (same molecular formula)
3-imino-2-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidine-1-carbonyl]-5-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-5-oxopentanenitrile C32H40N12O2