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Dasatinib N-Oxide

Dasatinib N-Oxide structure

CAS No:
910297-52-8
Formula:
C22H26ClN7O3S
Chemical Name:
Dasatinib N-Oxide
Synonyms:
Dasatinib N-Oxide;Dasatinib metabolite M5;UNII-B16WQA6880;B16WQA6880;N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)-4-oxido-1-piperazinyl]-2-methyl-4-pyrimidinyl]amino]-5-thiazolecarboxamide;SCHEMBL1704309;CTK8F8967;DTXSID50474434;BCP14228;ZINC22055426
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

Pale Yellow Solid

Dasatinib N-Oxide Basic Attributes

Molecular Weight：

504.00494

Exact Mass：

503.15100

UNII：

B16WQA6880

DSSTox ID：

DTXSID50474434

HScode：

29349990

Characteristics

PSA：

150

XLogP3：

3.80690

Melting Point：

193-195°C

Storage Conditions：

-20°C Freezer

Dasatinib N-Oxide Use and Manufacturing

An oxidative metabolite of Dasatinib (M5 metabolite)

Computed Properties

Molecular Weight:504.0
XLogP3:3.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:7
Exact Mass:503.1506366
Monoisotopic Mass:503.1506366
Topological Polar Surface Area:150
Heavy Atom Count:34
Complexity:687
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 910297-52-8

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