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Chemistry, part 2

Content language

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Concept information

... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > halide > organohalogen compound > organoiodine compound > 4'-deoxy-4'-iododoxorubicinium

Preferred term

4'-deoxy-4'-iododoxorubicinium  

Type

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

Broader concept

charge

  • +1

formula

  • C27H29INO10

has_functional_parent

inchi

  • InChI=1S/C27H28INO10/c1-10-22(28)13(29)6-17(38-10)39-15-8-27(36,16(31)9-30)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,30,33,35-36H,6-9,29H2,1-2H3/p+1/t10-,13-,15-,17-,22+,27-/m0/s1

inchikey

  • PDQGEKGUTOTUNV-TZSSRYMLSA-O

is_conjugate_acid_of

mass

  • 654.42437

monoisotopicmass

  • 654.08307

smiles

  • COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H]([NH3+])[C@H](I)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO

subset

  • 3_STAR

synonym EXACT

  • (2S,3S,4S,6R)-3-iodo-2-methyl-6-{[(1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl]oxy}tetrahydro-2H-pyran-4-aminium

synonym RELATED

  • 4'-DEOXY-4'-IODODOXORUBICIN

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:42037

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