Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 2-Hydroxyaclacinomycin A
RN: 79127-36-9
InChIKey: OPLSIDPSRWNQIH-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data
  • Natural Product

Molecular Formula

  • C42-H53-N-O16

Molecular Weight

  • 827.872
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • 2-Hydroxyaclacinomycin A

Synonyms

  • 2-Hydroxyaclacinomycin A
  • BRN 4901298

Systematic Name

  • 1-Naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,9-tetrahydroxy-6,11-dioxo-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

  • 79127-36-9

System Generated Number

  • 0079127369

Structure Descriptors

InChI

1S/C42H53NO16/c1-8-42(52)16-28(33-21(35(42)41(51)53-7)13-23-34(38(33)50)37(49)32-22(36(23)48)11-20(44)12-26(32)46)57-30-14-24(43(5)6)39(18(3)55-30)59-31-15-27(47)40(19(4)56-31)58-29-10-9-25(45)17(2)54-29/h11-13,17-19,24,27-31,35,39-40,44,46-47,50,52H,8-10,14-16H2,1-7H3

InChIKey

OPLSIDPSRWNQIH-UHFFFAOYSA-N

Smiles

C1[C@@H](O[C@@H](C(C1)=O)C)O[C@@H]1[C@@H](C[C@@H](O[C@@H]1C)O[C@@H]1[C@@H](C[C@@H](O[C@@H]1C)O[C@@H]1c2c(c3C(=O)c4c(O)cc(cc4C(=O)c3cc2[C@@H]([C@@](C1)(O)CC)C(=O)OC)O)O)N(C)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 50mg/kg (50mg/kg)   United States Patent Document. Vol. #4474945,