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Substance Name: Betaclamycin A
RN: 76264-95-4
InChIKey: OIAHYVPTZYBBFB-JKOIIKDVSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C40-H51-N-O15

Molecular Weight

  • 785.835
 
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Names and Synonyms

Name of Substance

  • Betaclamycin A

Synonyms

  • beta-Rhodomycin RDC
  • beta-Rmn-A
  • Betaclamycin A
  • BRN 4900947

Systematic Name

  • 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-ethyl-1,6,7,8,11-pentahydroxy-10-((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)-, (7R-(7-alpha,8-beta,10-beta))-

Registry Numbers

CAS Registry Number

  • 76264-95-4

System Generated Number

  • 0076264954

Structure Descriptors

InChI

1S/C40H51NO15/c1-7-40(50)15-24(29-32(39(40)49)36(48)30-31(35(29)47)34(46)28-19(33(30)45)9-8-10-22(28)43)54-26-13-20(41(5)6)37(17(3)52-26)56-27-14-23(44)38(18(4)53-27)55-25-12-11-21(42)16(2)51-25/h8-10,16-18,20,23-27,37-39,43-44,47-50H,7,11-15H2,1-6H3/t16-,17-,18-,20-,23-,24?,25-,26-,27-,37?,38+,39+,40+/m0/s1

InChIKey

OIAHYVPTZYBBFB-JKOIIKDVSA-N

Smiles

O1[C@@H](C)[C@@H](O[C@H]2CCC(=O)[C@@H](C)O2)[C@@H](O)C[C@@H]1O[C@@H]1[C@H](C[C@H](O[C@@H]2C[C@@]([C@@H](c3c2c(c2c(c3O)C(c3c(C2=O)c(ccc3)O)=O)O)O)(CC)O)O[C@H]1C)N(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 28mg/kg (28mg/kg)   European Patent Application. Vol. #22574,