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4-methyl-7-[(2R,3R,4S,5S)-3,4,5-trihydroxythian-2-yl]oxychromen-2-one

4-methyl-7-[(2R,3R,4S,5S)-3,4,5-trihydroxythian-2-yl]oxychromen-2-one structure

CAS No:
137215-12-4
Formula:
C15H16O6S
Chemical Name:
4-methyl-7-[(2R,3R,4S,5S)-3,4,5-trihydroxythian-2-yl]oxychromen-2-one
Synonyms:
odiparcil;Odiparcil;137215-12-4;UNII-FIK1414ZI8;FIK1414ZI8;GSK 424323;4-methyl-7-(((2R,3R,4S,5S)-3,4,5-trihydroxytetrahydro-2H-thiopyran-2-yl)oxy)-2H-chromen-2-one;Odiparcil [INN];DSSTox_CID_31428;DSSTox_RID_97314;DSSTox_GSID_57639;SCHEMBL4515803;CHEMBL2107763;DTXSID4057639;Tox21_113853;ZINC31597280;4-methyl-7-[(2R,3R,4S,5S)-3,4,5-trihydroxythian-2-yl]oxychromen-2-one;DB06609;GSK-424323;NCGC00253734-01;SB 424323;CAS-137215-12-4;Q27278001;4-Methyl-7-(5-thio-beta-D-xylopyranosyloxy)-2H-chromen-2-one;4-methyl-2-oxo-2H-1-benzopyran-7-yl 5-thio-beta-D-xylopyranoside;2H-1-Benzopyran-2-one, 4-methyl-7-[(5-thio-beta-D-xylopyranosyl)oxy]-;7-((2R,3R,4S,5S)-tetrahydro-3,4,5-trihydroxy-2H-thiopyran-2-yloxy)-4-methyl-2H-chromen-2-one

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4-methyl-7-[(2R,3R,4S,5S)-3,4,5-trihydroxythian-2-yl]oxychromen-2-one Basic Attributes

Molecular Weight：

324.4 g/mol

Exact Mass：

324.06675940 g/mol

UNII：

FIK1414ZI8

DSSTox ID：

DTXSID4057639

Characteristics

PSA：

122 Å²

Drug Information

Drug Indication：

Investigated for use/treatment in atrial fibrillation, cardiovascular disorders, thrombosis, and venous thromboembolism.

MeSH Entry Terms：

odiparcil

4-methyl-7-[(2R,3R,4S,5S)-3,4,5-trihydroxythian-2-yl]oxychromen-2-one Use and Manufacturing

Use Classification：

Human drugs -> Rare disease (orphan)

Computed Properties

Molecular Weight:324.4
XLogP3:0.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:2
Exact Mass:324.06675940
Monoisotopic Mass:324.06675940
Topological Polar Surface Area:122
Heavy Atom Count:22
Complexity:467
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-methyl-7-[(2R,3R,4S,5S)-3,4,5-trihydroxythian-2-yl]oxychromen-2-one

Basic Attributes
Characteristics
Drug Information
Use and Manufacturing
Computed Properties

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