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Substance Name: Gossypurpurin
RN: 21891-57-6
InChIKey: UGHAANNLJNAXPH-UHFFFAOYSA-N

Molecular Formula

  • C60-H56-N2-O13

Molecular Weight

  • 1013.1
 
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Names and Synonyms

Results Name

  • Gossypurpurin

Synonyms

  • 7-(2,10-Dihydroxy-5,13-dimethyl-3,11-bis(1-methylethyl)-1,9-dioxo-14-(1,6,7-trihydroxy-8-(iminomethyl)-3-methyl-5-(1-methylethyl)-2-naphthalenyl)-1H,9H-dinaphtho(1,8-bc:1',8'-gh)(1,6)dioxecin-8,16-imin-6-yl)-2,3,8-trihydroxy-5-methyl-4-(1-methylethyl)-1-naphthalenecarboxaldehyde
  • BRN 1070260
  • Gossypurpurin
  • NSC 60092

Systematic Names

  • 1-Naphthaldehyde, 7-(2,10-dihydro-3,11-diisopropyl-5,13-dimethyl-1,9-dioxo-14-(1,6,7-trihydro-8-(iminomethyl)-5-isopropyl-3-methyl-2-naphthyl)-8,16-imino-1H,9H-dinaphtho(1,8-bc:1',8'-gh)(1,5)-dioxecin-6-yl)-2,3,8-trihydroxy-4-isopropyl-5-methyl-
  • 1-Naphthalenecarboxaldehyde, 7-(2,10-dihydroxy-5,13-dimethyl-3,11-bis(1-methylethyl)-1,9-dioxo-14-(1,6,7-trihydroxy-8-(iminomethyl)-3-methyl-5-(1-methylethyl)-2-naphthalenyl)-1H,9H-dinaphtho(1,8-bc:1',8'-gh)(1,6)dioxecin-8,16-imin-6-yl)-2,3,8-trihydroxy-5-methyl-4-(1-methylethyl)-

Registry Numbers

CAS Registry Number

  • 21891-57-6

System Generated Number

  • 0021891576

Structure Descriptors

InChI

1S/C60H56N2O13/c1-19(2)33-27-13-23(9)37(49(66)41(27)31(17-61)47(64)51(33)68)39-25(11)15-29-35(21(5)6)53(70)55(72)45-43(29)57(39)74-59-46-44-30(36(22(7)8)54(71)56(46)73)16-26(12)40(58(44)75-60(45)62-59)38-24(10)14-28-34(20(3)4)52(69)48(65)32(18-63)42(28)50(38)67/h13-22,61-62,64-71H,1-12H3

InChIKey

UGHAANNLJNAXPH-UHFFFAOYSA-N

Smiles

c1(c(O)c(c(c2c1cc(c(c2O)c1c2c3c(c(c(c(c3cc1C)C(C)C)O)=O)c1oc3c4c(c(o2)[nH]1)c(c(c(c4cc(c3c1c(O)c2c(c(c(O)c(c2cc1C)C(C)C)O)C=O)C)C(C)C)O)=O)C)C=N)O)C(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 6680mg/kg (6680mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

KIDNEY, URETER, AND BLADDER: OTHER CHANGES

LIVER: OTHER CHANGES
Journal of the American Oil Chemists' Society. Vol. 40, Pg. 14, 1963.