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Substance Name: epsilon-ISORMN-A
RN: 76264-94-3
InChIKey: PVOZBLLCDWUBEP-FRKBZVPNSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C42-H53-N-O17

Molecular Weight

  • 843.871
 
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Names and Synonyms

Results Name

  • epsilon-ISORMN-A

Synonyms

  • 11-Hydroxycinerubin A
  • epsilon-ISORMN-A
  • G-6

Systematic Name

  • 1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-6,11-dioxo-2-ethyl-2,5,7,10,12-pentahydroxy-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

  • 76264-94-3

System Generated Number

  • 0076264943

Structure Descriptors

InChI

1S/C42H53NO17/c1-8-42(53)15-24(30-31(34(42)41(52)54-7)38(51)33-32(37(30)50)35(48)28-21(45)9-10-22(46)29(28)36(33)49)58-26-13-19(43(5)6)39(17(3)56-26)60-27-14-23(47)40(18(4)57-27)59-25-12-11-20(44)16(2)55-25/h9-10,16-19,23-27,34,39-40,45-47,50-51,53H,8,11-15H2,1-7H3/t16-,17-,18-,19-,23-,24-,25-,26-,27-,34-,39+,40+,42+/m0/s1

InChIKey

PVOZBLLCDWUBEP-FRKBZVPNSA-N

Smiles

C1[C@H](O[C@H]2[C@H](C[C@H](O[C@H]3[C@@H](N(C)C)C[C@@H](O[C@H]3C)O[C@@H]3c4c(O)c5C(=O)c6c(O)ccc(c6C(=O)c5c(c4[C@H]([C@@](C3)(O)CC)C(OC)=O)O)O)O[C@H]2C)O)O[C@@H](C)C(=O)C1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 28200ug/kg (28.2mg/kg)   European Patent Application. Vol. #22574,