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Substance Name: Doxorubicinone valerate
RN: 158699-93-5
UNII: V3K9Q878X1
InChIKey: IVNIGSFXMGPCOA-RXBISOJRSA-N

Molecular Formula

  • C26-H26-O10

Molecular Weight

  • 498.4814
 
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Names and Synonyms

Name of Substance

  • Doxorubicinone valerate

Synonyms

  • 2-Oxo-2-((2S,4S)-2,4,5,12-tetrahydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-2-yl)ethyl pentanoate
  • Doxorubicinone valerate
  • Pentanoic acid, 2-(1,2,3,4,6,11-hexahydro-2,4,5,12-tetrahydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl)-2-oxoethyl ester, (2S-cis)-
  • UNII-V3K9Q878X1
  • Valrubicin impurity, doxorubicinone valerate [USP]

Registry Numbers

CAS Registry Number

  • 158699-93-5

FDA UNII

  • V3K9Q878X1

System Generated Number

  • 0158699935

Structure Descriptors

InChI

1S/C26H26O10/c1-3-4-8-17(29)36-11-16(28)26(34)9-13-18(14(27)10-26)24(32)21-20(23(13)31)22(30)12-6-5-7-15(35-2)19(12)25(21)33/h5-7,14,27,31-32,34H,3-4,8-11H2,1-2H3/t14-,26-/m0/s1

InChIKey

IVNIGSFXMGPCOA-RXBISOJRSA-N

Smiles

CCCCC(=O)OCC(=O)[C@@]1(Cc2c(c(c3c(c2O)C(=O)c4cccc(c4C3=O)OC)O)[C@H](C1)O)O