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Substance Name: Hedamycin
RN: 11048-97-8
InChIKey: RZOFHOWMWMTHDX-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data
  • Natural Product

Molecular Formula

  • C41-H50-N2-O11

Molecular Weight

  • 746.849
 
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Names and Synonyms

Name of Substance

  • Hedamycin

Synonyms

  • Antibiotic B26158
  • B 26158
  • Crystalline antibiotic B 26,158
  • Hedamycin
  • NSC 70929
  • NSC-70929
  • NSC-70929D

Systematic Name

  • 4H-Anthra(1,2-b)pyran-4,7,12-trione, 2-(3,3'-dimethyl(2,2'-bioxiran)-3-yl)-11-hydroxy-5-methyl-8-(2,3,6-trideoxy-3-(dimethylamino)-beta-D-arabino-hexopyranosyl)-10-(2,3,6-trideoxy-3-(dimethylamino)-3-C-methyl-alpha-L-lyxo-hexopyranosyl)-

Registry Numbers

CAS Registry Number

  • 11048-97-8

System Generated Number

  • 0011048978

Structure Descriptors

InChI

1S/C41H50N2O11/c1-16-11-22-30(37-28(16)24(44)14-27(53-37)41(6)39(54-41)36-18(3)52-36)35(48)31-29(34(22)47)20(25-13-23(42(7)8)32(45)17(2)50-25)12-21(33(31)46)26-15-40(5,43(9)10)38(49)19(4)51-26/h11-12,14,17-19,23,25-26,32,36,38-39,45-46,49H,13,15H2,1-10H3

InChIKey

RZOFHOWMWMTHDX-UHFFFAOYSA-N

Smiles

O1[C@@]([C@@H]1[C@@H]1O[C@@H]1C)(c1oc2c3C(c4c(c([C@@H]5C[C@@](N(C)C)(C)[C@@H]([C@@H](O5)C)O)cc(c4C(c3cc(c2c(c1)=O)C)=O)[C@@H]1O[C@@H](C)[C@@H]([C@@H](C1)N(C)C)O)O)=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 300ug/kg (0.3mg/kg)   Antimicrobial Agents and Chemotherapy Vol. -, Pg. 613, 1966.