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Substance Name: 1H-Anthra(2,3-c)pyran-8-acetic acid, 10,11-dimethoxy-12-hydroxy-9-(3-hydroxy-3-(2-hydroxyphenyl)-1-oxo-2-propenyl)-3-((methylamino)carbonyl)-1-oxo-
RN: 100922-69-8
InChIKey: MMIDNLBHEVZLTB-MOSHPQCFSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C32-H25-N-O11

Molecular Weight

  • 599.5455
 
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Names and Synonyms

Synonym

  • BRN 5212007

Systematic Name

  • 1H-Anthra(2,3-c)pyran-8-acetic acid, 10,11-dimethoxy-12-hydroxy-9-(3-hydroxy-3-(2-hydroxyphenyl)-1-oxo-2-propenyl)-3-((methylamino)carbonyl)-1-oxo-

Registry Numbers

CAS Registry Number

  • 100922-69-8

System Generated Number

  • 0100922698

Structure Descriptors

InChI

1S/C32H25NO11/c1-33-31(40)22-11-16-9-14-8-15-10-17(12-23(37)38)24(21(36)13-20(35)18-6-4-5-7-19(18)34)29(42-2)27(15)30(43-3)25(14)28(39)26(16)32(41)44-22/h4-11,13,34-35,39H,12H2,1-3H3,(H,33,40)(H,37,38)/b20-13-

InChIKey

MMIDNLBHEVZLTB-MOSHPQCFSA-N

Smiles

CNC(=O)c1cc2cc3cc4cc(c(c(c4c(c3c(c2c(=O)o1)O)OC)OC)C(=O)/C=C(/c5ccccc5O)\O)CC(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 753mg/kg (753mg/kg)   Journal of Antibiotics. Vol. 38, Pg. 1752, 1985.
mouse LD50 intravenous 133mg/kg (133mg/kg)   Journal of Antibiotics. Vol. 38, Pg. 1752, 1985.
mouse LD50 oral > 2gm/kg (2000mg/kg)   Journal of Antibiotics. Vol. 38, Pg. 1752, 1985.