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Substance Name: 1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-6,11-dioxo-2-ethyl-4-O-((2,3,6-trideoxy-alpha-L-glycero-hexopyranos-4-ulosyl-(1-4)-O-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl(1-4)-O-3-(dimethylamino)-2,3,6-trideoxy-alpha-L-hexopyranosyl)oxy)-2,5,7,10-tetrahydroxy-, methyl ester
RN: 66808-28-4
InChIKey: STUJMJDONFVTGM-CWMGJFPWSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C42-H53-N-O16

Molecular Weight

  • 827.8717
 
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Names and Synonyms

Synonyms

  • Antibiotic MA 144G2
  • MA144 G2

Systematic Name

  • 1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-6,11-dioxo-2-ethyl-4-O-((2,3,6-trideoxy-alpha-L-glycero-hexopyranos-4-ulosyl-(1-4)-O-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl(1-4)-O-3-(dimethylamino)-2,3,6-trideoxy-alpha-L-hexopyranosyl)oxy)-2,5,7,10-tetrahydroxy-, methyl ester

Registry Numbers

CAS Registry Number

  • 66808-28-4

System Generated Number

  • 0066808284

Structure Descriptors

InChI

1S/C42H53NO16/c1-8-42(52)16-27(31-20(35(42)41(51)53-7)13-21-32(37(31)49)38(50)34-25(46)10-9-24(45)33(34)36(21)48)57-29-14-22(43(5)6)39(18(3)55-29)59-30-15-26(47)40(19(4)56-30)58-28-12-11-23(44)17(2)54-28/h9-10,13,17-19,22,26-30,35,39-40,45-47,49,52H,8,11-12,14-16H2,1-7H3/t17-,18+,19+,22+,26+,27+,28+,29+,30+,35+,39-,40-,42-/m1/s1

InChIKey

STUJMJDONFVTGM-CWMGJFPWSA-N

Smiles

CC[C@]1(C[C@@H](c2c(cc3c(c2O)C(=O)c4c(ccc(c4C3=O)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 intraperitoneal 17mg/kg (17mg/kg)   Japanese Kokai Tokyo Koho Patents. Vol. #78-44555,