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Substance Name: Doxorubicin 14-valerate
RN: 80287-44-1
UNII: VX84V04LL9
InChIKey: HPIIJTZSULGOAB-IIOUFYMLSA-N

Molecular Formula

  • C32-H37-N-O12

Molecular Weight

  • 627.6393
 
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Names and Synonyms

Name of Substance

  • Doxorubicin 14-valerate

Synonyms

  • 2-((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-oxoethyl pentanoate
  • Adriamycin 14-valerate
  • Doxorubicin 14-valerate
  • Pentanoic acid, 2-((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-oxoethyl ester
  • UNII-VX84V04LL9
  • Valrubicin impurity, doxorubicin valerate [USP]

Registry Numbers

CAS Registry Number

  • 80287-44-1

FDA UNII

  • VX84V04LL9

System Generated Number

  • 0080287441

Structure Descriptors

InChI

1S/C32H37NO12/c1-4-5-9-21(35)43-13-20(34)32(41)11-16-24(19(12-32)45-22-10-17(33)27(36)14(2)44-22)31(40)26-25(29(16)38)28(37)15-7-6-8-18(42-3)23(15)30(26)39/h6-8,14,17,19,22,27,36,38,40-41H,4-5,9-13,33H2,1-3H3/t14-,17-,19-,22-,27+,32-/m0/s1

InChIKey

HPIIJTZSULGOAB-IIOUFYMLSA-N

Smiles

CCCCC(=O)OCC(=O)[C@@]1(Cc2c(c(c3c(c2O)C(=O)c4cccc(c4C3=O)OC)O)[C@H](C1)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N)O