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Substance Name: 3''-O-Acetyl-2-hydroxyaclacinomycin
RN: 86670-20-4
InChIKey: PHBWROLTIPXDSU-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C44-H55-N-O17

Molecular Weight

  • 869.9085
 
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Names and Synonyms

Results Name

  • 3''-O-Acetyl-2-hydroxyaclacinomycin

Synonym

  • 3''-O-Acetyl-2-hydroxyaclacinomycin

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)-6,11-dioxo-2-ethyl-2,5,7,9-tetrahydroxy-, methyl ester, (1R-(1-alpha,2-beta,4-beta))-

Registry Numbers

CAS Registry Number

  • 86670-20-4

System Generated Number

  • 0086670204

Structure Descriptors

InChI

1S/C44H55NO17/c1-9-44(54)17-30(35-23(37(44)43(53)55-8)14-25-36(40(35)52)39(51)34-24(38(25)50)12-22(47)13-28(34)49)60-32-15-26(45(6)7)41(19(3)57-32)62-33-16-29(59-21(5)46)42(20(4)58-33)61-31-11-10-27(48)18(2)56-31/h12-14,18-20,26,29-33,37,41-42,47,49,52,54H,9-11,15-17H2,1-8H3

InChIKey

PHBWROLTIPXDSU-UHFFFAOYSA-N

Smiles

CCC1(CC(c2c(cc3c(c2O)C(=O)c4c(cc(cc4O)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