Description:
(3R,4S)-Tofacitinib is a less active enantiopure stereoisomer of the JAK3 inhibitor Tofacitinib.
- Molecular Weight: 312.27
- Molecular Formula: C16H20N6O
Purity: >98%
Canonical SMILES:
CC1CCN(CC1N(C)C2=NC=NC3=C2C=CN3)C(=O)CC#N
InChI:
InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13-/m0/s1
InChIKey: UJLAWZDWDVHWOW-AAEUAGOBSA-N
- Melting Point: >108°C (dec.)
- Appearance: Pale Yellow to Yellow Solid
Synonyms:
Tofacitinib Impurity A; 3-((3R,4S)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile
More details are to be found on supplier website
