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Substance Name: Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5ah)-one, 5,8,8a,9-tetrahydro-9-(beta-D-glucopyranosyloxy)-5-(4-butoxy-3,5-dimethoxyphenyl)-, (5R-(5-alpha,5a-beta,8a-alpha,9-alpha))-
RN: 73839-71-1
InChIKey: DMNDGAMXJSDCIT-HZYUORQRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C31-H38-O13

Molecular Weight

  • 618.6282
 
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Names and Synonyms

Synonyms

  • 4'-Butyl-demethylpodophyllotoxin-glucosid
  • 4'-Butyl-demethylpodophyllotoxin-glucosid [German]
  • 4-19-00-05305 (Beilstein Handbook Reference)
  • BRN 0074495

Systematic Name

  • Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5ah)-one, 5,8,8a,9-tetrahydro-9-(beta-D-glucopyranosyloxy)-5-(4-butoxy-3,5-dimethoxyphenyl)-, (5R-(5-alpha,5a-beta,8a-alpha,9-alpha))-

Registry Numbers

CAS Registry Number

  • 73839-71-1

System Generated Number

  • 0073839711

Structure Descriptors

InChI

1S/C31H38O13/c1-4-5-6-39-29-20(37-2)7-14(8-21(29)38-3)23-15-9-18-19(42-13-41-18)10-16(15)28(17-12-40-30(36)24(17)23)44-31-27(35)26(34)25(33)22(11-32)43-31/h7-10,17,22-28,31-35H,4-6,11-13H2,1-3H3/t17-,22+,23+,24-,25+,26-,27+,28-,31-/m0/s1

InChIKey

DMNDGAMXJSDCIT-HZYUORQRSA-N

Smiles

CCCCOc1c(cc(cc1OC)[C@@H]2c3cc4c(cc3[C@@H]([C@@H]5[C@@H]2C(=O)OC5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)OCO4)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 280mg/kg (280mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 549, 1961.