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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-(3,5-dimethoxy-4-propoxyphenyl)-, (5R-(5-alpha,5a-beta,8a-alpha,9-alpha))-
RN: 73839-72-2
InChIKey: HMBXYYWCEVNNLZ-TZGCRGLASA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H36-O13

Molecular Weight

  • 604.6014
 
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Names and Synonyms

Synonyms

  • 4'-Propyl-demethylpodophyllotoxin-glucosid
  • 4'-Propyl-demethylpodophyllotoxin-glucosid [German]
  • 4-19-00-05305 (Beilstein Handbook Reference)
  • BRN 0074397

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-(3,5-dimethoxy-4-propoxyphenyl)-, (5R-(5-alpha,5a-beta,8a-alpha,9-alpha))-

Registry Numbers

CAS Registry Number

  • 73839-72-2

System Generated Number

  • 0073839722

Structure Descriptors

InChI

1S/C30H36O13/c1-4-5-38-28-19(36-2)6-13(7-20(28)37-3)22-14-8-17-18(41-12-40-17)9-15(14)27(16-11-39-29(35)23(16)22)43-30-26(34)25(33)24(32)21(10-31)42-30/h6-9,16,21-27,30-34H,4-5,10-12H2,1-3H3/t16-,21+,22+,23-,24+,25-,26+,27-,30-/m0/s1

InChIKey

HMBXYYWCEVNNLZ-TZGCRGLASA-N

Smiles

CCCOc1c(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 100mg/kg (100mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 549, 1961.