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Substance Name: 14-Quinaldinoyloxydaunorubicin
RN: 126657-27-0
InChIKey: VTDMDKFOXVFPGY-UHFFFAOYSA-N

Molecular Formula

  • C37-H34-N2-O13

Molecular Weight

  • 714.677
 
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Names and Synonyms

Name of Substance

  • 14-Quinaldinoyloxydaunorubicin

Synonym

  • 14-Quinaldinoyloxyrubomycin

Systematic Name

  • 2-Quinolinecarboxylic acid, 3-hydroxy-, 2-(4-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl)-2-oxoethyl ester, (2S-cis)-

Registry Numbers

CAS Registry Number

  • 126657-27-0

System Generated Number

  • 0126657270

Structure Descriptors

InChI

1S/C37H34N2O13/c1-15-31(42)19(38)11-25(51-15)52-23-13-37(48,24(41)14-50-36(47)30-21(40)10-16-6-3-4-8-20(16)39-30)12-18-27(23)35(46)29-28(33(18)44)32(43)17-7-5-9-22(49-2)26(17)34(29)45/h3-10,15,19,23,25,31,40,42,44,46,48H,11-14,38H2,1-2H3

InChIKey

VTDMDKFOXVFPGY-UHFFFAOYSA-N

Smiles

c1(nc2c(cc1O)cccc2)C(OCC([C@@]1(C[C@@H](c2c(O)c3C(=O)c4c(cccc4C(=O)c3c(O)c2C1)OC)O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](N)C1)O)=O)=O