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Substance Name: 1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-6,11-dioxo-2-ethyl-2,5,12-trihydroxy-4-((2,3,6-trideoxy-4-O-(2,6-dideoxy-4-O-((2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-, methyl ester,(1R-(1-alpha,2-beta,4-beta))-
RN: 76463-92-8
InChIKey: KXRPCMRUNHOYFX-XPBCLHBESA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C42-H53-N-O15

Molecular Weight

  • 811.8727
 
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Names and Synonyms

Synonym

  • epsilon-Rhodomycin rdc

Systematic Name

  • 1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-6,11-dioxo-2-ethyl-2,5,12-trihydroxy-4-((2,3,6-trideoxy-4-O-(2,6-dideoxy-4-O-((2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-, methyl ester,(1R-(1-alpha,2-beta,4-beta))-

Registry Numbers

CAS Registry Number

  • 76463-92-8

System Generated Number

  • 0076463928

Structure Descriptors

InChI

1S/C42H53NO15/c1-8-42(51)17-26(30-31(34(42)41(50)52-7)38(49)33-32(37(30)48)35(46)21-11-9-10-12-22(21)36(33)47)56-28-15-23(43(5)6)39(19(3)54-28)58-29-16-25(45)40(20(4)55-29)57-27-14-13-24(44)18(2)53-27/h9-12,18-20,23,25-29,34,39-40,45,48-49,51H,8,13-17H2,1-7H3/t18-,19-,20-,23-,25-,26-,27-,28-,29-,34-,39+,40+,42+/m0/s1

InChIKey

KXRPCMRUNHOYFX-XPBCLHBESA-N

Smiles

CC[C@]1(C[C@@H](c2c(c(c3c(c2O)C(=O)c4ccccc4C3=O)O)[C@H]1C(=O)OC)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O[C@H]6C[C@@H]([C@@H]([C@@H](O6)C)O[C@H]7CCC(=O)[C@@H](O7)C)O)N(C)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 32500ug/kg (32.5mg/kg)   European Patent Application. Vol. #22574,