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Substance Name: Rodorubicin [INN]
RN: 96497-67-5
UNII: XCZ4D2241Y
InChIKey: JXVAMODRWBNUSF-KZQKBALLSA-N

Molecular Formula

  • C48-H64-N2-O17

Molecular Weight

  • 941.031
 
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Names and Synonyms

Name of Substance

  • Rodorubicin
  • Rodorubicin [INN]

Synonyms

  • (1S,3R,4R)-3-Ethyl-1,2,3,4,6,11-hexahydro-3,5,10,12-tetrahydroxy-6,11-dioxo-4-((2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-1-naphthacenyl O-3,6-dideoxy-alpha-L-erythro-hexopyranos-4-ulosyl-(1-4)-O-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl-(1-4)-2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranoside, 2',3'-anhydride
  • Rodorubicin
  • Rodorubicina
  • Rodorubicina [Spanish]
  • Rodorubicine
  • Rodorubicine [French]
  • Rodorubicinum
  • Rodorubicinum [Latin]
  • UNII-XCZ4D2241Y

Systematic Name

  • (1S,3R,4R)-3-Ethyl-1,2,3,4,6,11-hexahydro-3,5,10,12-tetrahydroxy-6,11-dioxo-4-((2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-1-naphthacenyl O-3,6-dideoxy-alpha-L-erythro-hexopyranos-4-ulosyl-(1->4)-O-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl-(1->4)-2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranoside, 2'',3'-anhydride

Registry Numbers

CAS Registry Number

  • 96497-67-5

FDA UNII

  • XCZ4D2241Y

System Generated Number

  • 0096497675

Structure Descriptors

InChI

1S/C48H64N2O17/c1-10-48(58)18-30(64-31-15-25(50(8)9)44(21(4)60-31)65-33-17-28-45(22(5)61-33)67-47-29(63-28)16-27(52)19(2)62-47)35-38(46(48)66-32-14-24(49(6)7)39(53)20(3)59-32)43(57)36-37(42(35)56)41(55)34-23(40(36)54)12-11-13-26(34)51/h11-13,19-22,24-25,28-33,39,44-47,51,53,56-58H,10,14-18H2,1-9H3/t19-,20-,21-,22-,24-,25-,28-,29-,30-,31-,32-,33-,39+,44+,45+,46+,47-,48+/m0/s1

InChIKey

JXVAMODRWBNUSF-KZQKBALLSA-N

Smiles

c12c([C@H]([C@](CC)(O)C[C@@H]1O[C@H]1C[C@@H]([C@H](O[C@H]3C[C@H]4[C@H](O[C@@H]5O[C@@H](C)C(C[C@H]5O4)=O)[C@@H](O3)C)[C@@H](O1)C)N(C)C)O[C@H]1C[C@@H]([C@H](O)[C@@H](O1)C)N(C)C)c(c1C(c3cccc(c3C(c1c2O)=O)O)=O)O