Abrocitinib M2
Product Code
TRC-A197080
CAS Number
Product Format
Neat
Molecular Formula
C28H42N10O6S2
Molecular Weight
678.83
Product Categories
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- Product Name: Abrocitinib M2
- Product Code: TRC-A197080
- CAS Number: 2744171-52-4
- Brand: TRC
Product Information
Chemical Data
Analyte Name
Abrocitinib M2
CAS Number
2744171-52-4
Molecular Formula
C28H42N10O6S2
Molecular Weight
678.83
Accurate Mass
678.27
SMILES
CN(C1=C2C=CNC2=NC=N1)[C@@H]3C[C@@H](C3)NS(=O)(C[C@@H](O)C)=O.CN(C4=C5C=CNC5=NC=N4)[C@H]6C[C@H](C6)NS(=O)(C[C@@H](O)C)=O
InChI
InChI=1S/2C14H21N5O3S/c2*1-9(20)7-23(21,22)18-10-5-11(6-10)19(2)14-12-3-4-15-13(12)16-8-17-14/h2*3-4,8-11,18,20H,5-7H2,1-2H3,(H,15,16,17)/t2*9-,10-,11+/m00/s1
IUPAC
(S)-2-hydroxy-N-((1s,3R)-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)cyclobutyl)propane-1-sulfonamide
Product Data
Country of Origin
CANADA
Product Format
Neat
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