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N-[cis-3-(Methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)cyclobutyl]-1-propanesulfonamide
[CAS# 1622902-68-4]

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Identification
NameN-[cis-3-(Methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)cyclobutyl]-1-propanesulfonamide
SynonymsAbrocitinib; Cibinqo
Molecular StructureCAS # 1622902-68-4, N-[cis-3-(Methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)cyclobutyl]-1-propanesulfonamide
Molecular FormulaC14H21N5O2S
Molecular Weight323.41
CAS Registry Number1622902-68-4
EC Number817-215-8
SMILESN(C)(C1=C2C(NC=C2)=NC=N1)[C@H]3C[C@@H](NS(CCC)(=O)=O)C3
Properties
SolubilityPractically insoluble (0.039 g/L) (25 °C), Calc.*
pKa6.73±0.10 (Most basic 25 °C), Calc.*
Density1.36±0.1 g/cm3 (20 °C 760 Torr), Calc.*
*Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2022 ACD/Labs)
Safety Data
Hazard Symbolssymbol   GHS08  Details
Risk StatementsH361  Details
Safety StatementsP203-P280-P318-P405-P501  Details
Hazard Classification
up    Details
HazardClassCategory CodeHazard Statement
Reproductive toxicityRepr.2H361
Market Analysis Reports
List of Reports Available for N-[cis-3-(Methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)cyclobutyl]-1-propanesulfonamide
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