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Substance Name: N-(2-Hydroxyethyl)doxorubicin
RN: 103851-20-3
InChIKey: HJGSENVQDBKIJB-UHFFFAOYSA-N

Note

  • Obtained from hydrolysis of 3'-deamino-3'-(3-cyano-4-morpholinyl)doxorubicin.

Molecular Formula

  • C29-H33-N-O12

Molecular Weight

  • 587.5747
 
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Names and Synonyms

Name of Substance

  • N-(2-Hydroxyethyl)doxorubicin

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 103851-20-3

System Generated Number

  • 0103851203

Structure Descriptors

InChI

1S/C29H33NO12/c1-12-11-41-28(22(23(12)34)30-6-7-31)42-16-9-29(39,17(33)10-32)8-14-19(16)27(38)21-20(25(14)36)24(35)13-4-3-5-15(40-2)18(13)26(21)37/h3-5,12,16,22-23,28,30-32,34,36,38-39H,6-11H2,1-2H3

InChIKey

HJGSENVQDBKIJB-UHFFFAOYSA-N

Smiles

CC1COC(C(C1O)NCCO)OC2CC(Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O