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Substance Name: beta-Isorhodomycinone
RN: 80930-57-0
InChIKey: CHGJHKQZZYYATJ-MGUWIHFFSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C40-H51-N-O16

Molecular Weight

  • 801.834
 
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Names and Synonyms

Name of Substance

  • beta-Isorhodomycinone
  • CG 10

Synonyms

  • beta-Isorhodomycinone RDC
  • CG 10

Systematic Name

  • 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-ethyl-1,4,6,7,8,11-hexahydroxy-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-hexapyranosyl)oxy)-, (7R-(7-alpha,8-beta,10-beta))-

Registry Numbers

CAS Registry Number

  • 80930-57-0

System Generated Number

  • 0080930570

Structure Descriptors

InChI

1S/C40H51NO16/c1-7-40(51)14-23(29-32(39(40)50)36(49)31-30(35(29)48)33(46)27-20(43)8-9-21(44)28(27)34(31)47)55-25-12-18(41(5)6)37(16(3)53-25)57-26-13-22(45)38(17(4)54-26)56-24-11-10-19(42)15(2)52-24/h8-9,15-18,22-26,37-39,43-45,48-51H,7,10-14H2,1-6H3/t15-,16-,17-,18-,22-,23-,24-,25-,26-,37+,38+,39+,40+/m0/s1

InChIKey

CHGJHKQZZYYATJ-MGUWIHFFSA-N

Smiles

C1CC([C@@H](O[C@H]1O[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(c4c(O)ccc(c4C(c3c(c2[C@@H](O)[C@@](C1)(O)CC)O)=O)O)=O)O)N(C)C)O)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 38mg/kg (38mg/kg)   Japanese Kokai Tokyo Koho Patents. Vol. #83-39698,