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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > ion > cation > organic cation > dabigatran etexilate(1+)
... > chemical entity > molecular entity > ion > organic ion > organic cation > dabigatran etexilate(1+)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic ion > organic cation > dabigatran etexilate(1+)

Preferred term

dabigatran etexilate(1+)  

Type

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

Broader concept

charge

  • +1

formula

  • C34H42N7O5

inchi

  • InChI=1S/C34H41N7O5/c1-4-6-7-10-21-46-34(44)39-32(35)24-12-15-26(16-13-24)37-23-30-38-27-22-25(14-17-28(27)40(30)3)33(43)41(20-18-31(42)45-5-2)29-11-8-9-19-36-29/h8-9,11-17,19,22,37H,4-7,10,18,20-21,23H2,1-3H3,(H2,35,39,44)/p+1

inchikey

  • KSGXQBZTULBEEQ-UHFFFAOYSA-O

is_conjugate_acid_of

mass

  • 628.74120

monoisotopicmass

  • 628.32419

smiles

  • [H+].CCCCCCOC(=O)/N=C(/N)c1ccc(NCc2nc3cc(ccc3n2C)C(=O)N(CCC(=O)OCC)c2ccccn2)cc1

subset

  • 3_STAR

synonym RELATED

  • dabigatran etexilate cation

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:70751

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