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Substance Name: Detorubicin [INN]
RN: 66211-92-5
UNII: 822EC3XEJZ
InChIKey: XZSRRNFBEIOBDA-CFNBKWCHSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C33-H39-N-O14

Molecular Weight

  • 673.6641
 
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Names and Synonyms

Name of Substance

  • Detorubicin
  • Detorubicin [INN]

Synonyms

  • (((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)carbonyl)methylglyoxylat-2-(diethylacetal)
  • (1S,3S)-3-(Diethoxyacetoxyacetyl)-1,2,3,4,6,11-hexahydro-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1-naphthacenyl-3-amino-2,36-tridesoxy-alpha-L-lyxo-hexopyranosid
  • BRN 4637868
  • Detorubicin
  • Detorubicina
  • Detorubicina [INN-Spanish]
  • Detorubicine
  • Detorubicine [INN-French]
  • Detorubicinum
  • Detorubicinum [INN-Latin]
  • RP 33921
  • UNII-822EC3XEJZ

Systematic Names

  • Acetic acid, diethoxy-, 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)-
  • Glyoxylic acid 3(sup 2)-ester with doxorubicin, 2-(diethyl acetal)

Registry Numbers

CAS Registry Number

  • 66211-92-5

FDA UNII

  • 822EC3XEJZ

System Generated Number

  • 0066211925

Structure Descriptors

InChI

1S/C33H39NO14/c1-5-44-32(45-6-2)31(41)46-13-20(35)33(42)11-16-23(19(12-33)48-21-10-17(34)26(36)14(3)47-21)30(40)25-24(28(16)38)27(37)15-8-7-9-18(43-4)22(15)29(25)39/h7-9,14,17,19,21,26,32,36,38,40,42H,5-6,10-13,34H2,1-4H3/t14-,17-,19-,21-,26+,33-/m0/s1

InChIKey

XZSRRNFBEIOBDA-CFNBKWCHSA-N

Smiles

CCOC(OCC)C(=O)OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)c3c(O)c4C(=O)c5c(OC)cccc5C(=O)c4c(O)c3C1