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Substance Name: 2,4,3''-Tri-O-acetyl-2-hydroxyaclacinomycin A
RN: 86651-71-0
InChIKey: ZEVIWPSTKROFBE-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C96-H118-N2-O38.5H2-O

Molecular Weight

  • 953.9821
 
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Names and Synonyms

Results Name

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

Synonym

  • 2,4,3''-Tri-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)-7,9-bis(acetyloxy)-2,5-dihydroxy-6,11-dioxo-2-ethyl-, methyl ester, (1R-(1-alpha,2-beta,4-beta))-, hydrate (2:5)

Registry Numbers

CAS Registry Number

  • 86651-71-0

System Generated Number

  • 0086651710

Molecular Formulas

Molecular Formula

  • C96-H118-N2-O38.5H2-O

Molecular Formula Fragments

  • C96-H118-N2-O38
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C48H59NO19/c1-11-48(58)19-34(38-27(41(48)47(57)59-10)16-29-40(43(38)55)44(56)39-28(42(29)54)14-26(63-23(5)50)15-32(39)64-24(6)51)66-36-17-30(49(8)9)45(21(3)61-36)68-37-18-33(65-25(7)52)46(22(4)62-37)67-35-13-12-31(53)20(2)60-35/h14-16,20-22,30,33-37,41,45-46,55,58H,11-13,17-19H2,1-10H3

InChIKey

ZEVIWPSTKROFBE-UHFFFAOYSA-N

Smiles

CCC1(CC(c2c(cc3c(c2O)C(=O)c4c(cc(cc4OC(=O)C)OC(=O)C)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