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Substance Name: 4,3''-Di-O-acetyl-2-hydroxyaclacinomycin A
RN: 86651-72-1
InChIKey: DETQXNVJJXDPOZ-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C46-H57-N-O18

Molecular Weight

  • 911.9453
 
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Names and Synonyms

Results Name

  • 4,3''-Di-O-acetyl-2-hydroxyaclacinomycin A

Synonym

  • 4,3''-Di-O-acetyl-2-hydroxyaclacinomycin A

Systematic Name

  • 1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-4-((4-O-(3-O-acetyl-2,6-dideoxy-4-O-((2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)-2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-7-(acetyloxy)-6,11-dioxo-2-ethyl-2,5,9-trihydroxy-, methyl ester, (1R-(1-alpha,2-beta,4-beta))-

Registry Numbers

CAS Registry Number

  • 86651-72-1

System Generated Number

  • 0086651721

Structure Descriptors

InChI

1S/C46H57NO18/c1-10-46(56)18-32(36-25(39(46)45(55)57-9)15-27-38(41(36)53)42(54)37-26(40(27)52)13-24(50)14-30(37)61-22(5)48)63-34-16-28(47(7)8)43(20(3)59-34)65-35-17-31(62-23(6)49)44(21(4)60-35)64-33-12-11-29(51)19(2)58-33/h13-15,19-21,28,31-35,39,43-44,50,53,56H,10-12,16-18H2,1-9H3

InChIKey

DETQXNVJJXDPOZ-UHFFFAOYSA-N

Smiles

CCC1(CC(c2c(cc3c(c2O)C(=O)c4c(cc(cc4OC(=O)C)O)C3=O)C1C(=O)OC)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7CCC(=O)C(O7)C)OC(=O)C)N(C)C)O