CAS
1131-40-4 Purity
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1131-40-4 Purity
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![4-[2-Amino-6-[(1R)-1-[4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-4-pyrimidinyl]-L-phenylalanine ethyl ester N-benzoylglycine salt](https://resource.alfa-chemistry.com/structure/1137608-69-5.gif)
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Ledoxantrone
CAS
113457-05-9
Catalog Number
ACM113457059
Category
Other Products
Molecular Weight
397.544
Molecular Formula
C21H27N5OS
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Specification
Synonyms
Ledoxantrone;CI 958
What is the molecular formula of Ledoxantrone?
The molecular formula of Ledoxantrone is C21H27N5OS.
When was Ledoxantrone first created?
Ledoxantrone was first created on March 26, 2005.
What is the molecular weight of Ledoxantrone?
The molecular weight of Ledoxantrone is 397.5 g/mol.
How is the InChIKey of Ledoxantrone computed?
The InChIKey of Ledoxantrone is computed by InChI 1.0.6.
What is the Canonical SMILES of Ledoxantrone?
The Canonical SMILES of Ledoxantrone is CCN(CC)CCN1C2=C3C(=C4C=CC(=O)C=C4SC3=C(C=C2)NCCN)N1.
What is the CAS number of Ledoxantrone?
The CAS number of Ledoxantrone is 113457-05-9.
How many hydrogen bond donor counts does Ledoxantrone have?
Ledoxantrone has 3 hydrogen bond donor counts.
What is the topological polar surface area of Ledoxantrone?
The topological polar surface area of Ledoxantrone is 98.9 Ų.
Does Ledoxantrone have any defined atom stereocenter count?
No, Ledoxantrone does not have any defined atom stereocenter count.
Is the compound of Ledoxantrone canonicalized?
Yes, the compound of Ledoxantrone is canonicalized.
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