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Substance Name: Aldoxorubicin Hydrochloride [USAN]
RN: 1361563-03-2
UNII: S098K6HGD9
InChIKey: NGKHWQPYPXRQTM-USZGXNDZSA-N

Note

  • Albumin-binding prodrug of doxorubicin.

Classification Codes

  • Antineoplastic Agents
  • Treatment of Cancer

Molecular Formula

  • C37-H42-N4-O13.Cl-H

Molecular Weight

  • 787.2147
 
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Names and Synonyms

Name of Substance

  • Aldoxorubicin Hydrochloride [USAN]

Synonyms

  • 1H-Pyrrole-1-hexanoic acid, 2,5-dihydro-2,5-dioxo-,(2E)-2-(1-((2S,4S)-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-hydroxyethylidene)hydrazide, hydrochloride (1:1)
  • Aldoxorubicin Hydrochloride
  • INNO-206 hydrochloride
  • UNII-S098K6HGD9

Systematic Name

  • N'-(1-((2S,4S)-4-((3-Amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-2-yl)-2-hydroxyethylidene)-6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanohydrazide monohydrochloride

Registry Numbers

CAS Registry Number

  • 1361563-03-2

FDA UNII

  • S098K6HGD9

System Generated Number

  • 1361563032

Structure Descriptors

InChI

1S/C37H42N4O13.ClH/c1-17-32(46)20(38)13-27(53-17)54-22-15-37(51,23(16-42)39-40-24(43)9-4-3-5-12-41-25(44)10-11-26(41)45)14-19-29(22)36(50)31-30(34(19)48)33(47)18-7-6-8-21(52-2)28(18)35(31)49;/h6-8,10-11,17,20,22,27,32,42,46,48,50-51H,3-5,9,12-16,38H2,1-2H3,(H,40,43);1H/t17-,20-,22-,27-,32+,37-;/m0./s1

InChIKey

NGKHWQPYPXRQTM-USZGXNDZSA-N

Smiles

C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=NNC(=O)CCCCCN6C(=O)C=CC6=O)CO)O)N)O.Cl