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Substance Name: 4'-Daunosaminyl-daunomycin dihydrochloride
RN: 28008-52-8
InChIKey: UEMSQRPTTZYVPP-MRLFYKGRSA-N

Molecular Formula

  • C33-H40-N2-O12.2Cl-H

Molecular Weight

  • 729.603
 
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Names and Synonyms

Results Name

  • 4'-Daunosaminyl-daunomycin dihydrochloride

Synonyms

  • (8S-cis)-8-Acetyl-10-((3-amino-4-O-(3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione dihydrochloride
  • 4'-Daunosaminyl - daunomycin dihydrochloride
  • 8-Acetyl-10-((3-amino-4-O-(3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione dihydrochloride, (8S-cis)-

Systematic Name

  • 5,12-Naphthacenedione, 8-acetyl-10-((3-amino-4-O-(3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, dihydrochloride, (8S-cis)-

Registry Numbers

CAS Registry Number

  • 28008-52-8

System Generated Number

  • 0028008528

Molecular Formulas

Molecular Formula

  • C33-H40-N2-O12.2Cl-H

Molecular Formula Fragments

  • C33-H40-N2-O12
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C33H40N2O12.2ClH/c1-12-27(37)17(34)8-22(44-12)47-32-13(2)45-21(9-18(32)35)46-20-11-33(42,14(3)36)10-16-24(20)31(41)26-25(29(16)39)28(38)15-6-5-7-19(43-4)23(15)30(26)40;;/h5-7,12-13,17-18,20-22,27,32,37,39,41-42H,8-11,34-35H2,1-4H3;2*1H/t12-,13-,17-,18-,20-,21-,22-,27+,32+,33-;;/m0../s1

InChIKey

UEMSQRPTTZYVPP-MRLFYKGRSA-N

Smiles

N[C@H]1C[C@@H](O[C@H]([C@H]1O)C)O[C@H]1[C@H](C[C@@H](O[C@H]1C)O[C@@H]1c2c(c3c(c(c2C[C@@](C1)(O)C(C)=O)O)C(=O)c1cccc(OC)c1C3=O)O)N.Cl.Cl