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Substance Name: Detorubicin hydrochloride
RN: 64291-45-8
UNII: XMI0YV2GFR
InChIKey: PJODMULXZJQLDJ-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C33-H39-N-O14.Cl-H

Molecular Weight

  • 710.125
 
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Names and Synonyms

Results Name

  • Detorubicin hydrochloride

Name of Substance

  • Detorubicin hydrochloride

Synonyms

  • Detorubicin HCl
  • Detorubicin hydrochloride
  • EINECS 264-770-1
  • UNII-XMI0YV2GFR

Systematic Name

  • 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, hydrochloride, (2S-cis)-

Registry Numbers

CAS Registry Number

  • 64291-45-8

FDA UNII

  • XMI0YV2GFR

Other Registry Number

  • 74232-62-5

System Generated Number

  • 0064291458

Molecular Formulas

Molecular Formula

  • C33-H39-N-O14.Cl-H

Molecular Formula Fragments

  • C33-H39-N-O14
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C33H39NO14.ClH/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;1H

InChIKey

PJODMULXZJQLDJ-UHFFFAOYSA-N

Smiles

N[C@@H]1C[C@@H](O[C@@H]2c3c(O)c4C(=O)c5c(OC)cccc5C(=O)c4c(O)c3C[C@@](C2)(O)C(COC(=O)C(OCC)OCC)=O)O[C@@H]([C@@H]1O)C.Cl