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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > salt > organic salt > organic sodium salt > (r)-warfarin sodium
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > salt > alkali metal salt > sodium salt > organic sodium salt > (r)-warfarin sodium

Preferred term

(r)-warfarin sodium  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C19H15NaO4

has_part

inchi

  • InChI=1S/C19H16O4.Na/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22;/h2-10,15,21H,11H2,1H3;/q;+1/p-1/t15-;/m1./s1

inchikey

  • KYITYFHKDODNCQ-XFULWGLBSA-M

is_enantiomer_of

mass

  • 330.310

monoisotopicmass

  • 330.08680

smiles

  • [Na+].C1=CC=CC2=C1C(=C(C(O2)=O)[C@H](CC(C)=O)C3=CC=CC=C3)[O-]

subset

  • 3_STAR

synonym EXACT

  • sodium 2-oxo-3-[(1R)-3-oxo-1-phenylbutyl]-2H-1-benzopyran-4-olate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:87739

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