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Peficitinib Impurity 2

CAT: 1299-RM-P050602-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-P050602-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
944134-74-1
Synonyms
4- (((1R,2r,3S,5s,7s) -5-hydroxyadamantan-2-yl) amino) -1H-pyrrolo[2,3-b]pyridine-5-carboxamide
Molecular Formula
C18H22N4O2
Molecular Weight
326.4
Target Alternative Name
Peficitinib
Product Name Synonym
4- (((1R,2r,3S,5s,7s) -5-hydroxyadamantan-2-yl) amino) -1H-pyrrolo[2,3-b]pyridine-5-carboxamide

Chemical Information

Peficitinib

Peficitinib has been used in trials studying the treatment and basic science of Psoriasis, Pharmacodynamics, Drug Interactions, Colitis, Ulcerative, and RHEUMATOID ARTHRITIS, among others.

CAS Number944134-74-1
PubChem CID57928403
IUPAC Name4-[[(1R,3S)-5-hydroxy-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
Molecular FormulaC18H22N4O2
Molecular Weight326.4
XLogP1.9
Topological Polar Surface Area104
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity525
SMILES
C1[C@@H]2CC3(C[C@@H](C2NC4=C5C=CNC5=NC=C4C(=O)N)CC1C3)O
InChI
InChI=1S/C18H22N4O2/c19-16(23)13-8-21-17-12(1-2-20-17)15(13)22-14-10-3-9-4-11(14)7-18(24,5-9)6-10/h1-2,8-11,14,24H,3-7H2,(H2,19,23)(H2,20,21,22)/t9?,10-,11+,14?,18?
InChIKey
DREIJXJRTLTGJC-JQCLMNFQSA-N
Chemical Structure
2D Structure
2D structure of Peficitinib
CAS: 944134-74-1
CID: 57928403
Formula: C18H22N4O2
MW: 326.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight326.4
XLogP31.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass326.17427596
Monoisotopic Mass326.17427596
Topological Polar Surface Area104 Ų
Heavy Atom Count24
Formal Charge0
Complexity525
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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