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Substance Name: 4-Deoxyaclacinomycin A
RN: 87080-93-1
InChIKey: PITHJRRCEANNKJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C42-H53-N14

Molecular Weight

  • 795.8737
 
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Names and Synonyms

Results Name

  • 4-Deoxyaclacinomycin A

Synonym

  • 4-Deoxyaclacinomycin A

Systematic Name

  • 1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-2,5-dihydroxy-6,11-dioxo-2-ethyl-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-hexopyranoxyl)-3-(dimethylamino)-alpha-L-lyxo-heropyranosyl)oxy)-, methyl ester, (1R-(1-alpha,2-beta,4-beta))-

Registry Numbers

CAS Registry Number

  • 87080-93-1

System Generated Number

  • 0087080931

Structure Descriptors

InChI

1S/C42H53NO14/c1-8-42(50)18-29(33-24(35(42)41(49)51-7)15-25-34(38(33)48)37(47)23-12-10-9-11-22(23)36(25)46)55-31-16-26(43(5)6)39(20(3)53-31)57-32-17-28(45)40(21(4)54-32)56-30-14-13-27(44)19(2)52-30/h9-12,15,19-21,26,28-32,35,39-40,45,48,50H,8,13-14,16-18H2,1-7H3

InChIKey

PITHJRRCEANNKJ-UHFFFAOYSA-N

Smiles

CCC1(CC(c2c(cc3c(c2O)C(=O)c4ccccc4C3=O)C1C(=O)OC)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7CCC(=O)C(O7)C)O)N(C)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 100mg/kg (100mg/kg)   United States Patent Document. Vol. #4405713,