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Substance Name: 13-Dihydrodoxorubicin
RN: 141434-67-5
InChIKey: NKZRZOVSJNSBFR-CHSNQWSYSA-N

Molecular Formula

  • C27-H31-N-O11

Molecular Weight

  • 545.5379
 
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Names and Synonyms

Results Name

  • 13-Dihydrodoxorubicin

Name of Substance

  • Adriamycinol

Synonyms

  • 10-((3-Amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-8-(1,2-dihydroxyethyl)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione
  • 13-Dihydrodoxorubicin

Systematic Name

  • 5,12-Naphthacenedione, 10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-8-(1,2-dihydroxyethyl)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-

Registry Numbers

CAS Registry Number

  • 141434-67-5

Related Registry Number

  • 63950-05-0 (hydrochloride)

System Generated Number

  • 0141434675

Structure Descriptors

InChI

1S/C27H31NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)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/h3-5,10,13,15-17,22,29-31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15?,16?,17?,22+,27?/m0/s1

InChIKey

NKZRZOVSJNSBFR-CHSNQWSYSA-N

Smiles

C[C@H]1[C@H]([C@H](CC(O1)OC2CC(Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(CO)O)O)N)O