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Substance Name: 4-O-butanoyl-4'-demethylpodophyllotoxin
RN: 153448-17-0
InChIKey: IZICVMOVTLJVDP-ANCALKEFSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H26-O9

Molecular Weight

  • 470.4714
 
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Names and Synonyms

Name of Substance

  • 4-O-Butanoyl-4'-demethylpodophyllotoxin

Synonyms

  • 4-O-Butanoyl-4'-demethylpodophyllotoxin
  • Bn 58705

Systematic Name

  • Butanoic acid, 5,5a,6,8a,9-hexahydro-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxofuro(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-5-yl ester, (5R-(5-alpha,5a-alpha,8a-beta,9-alpha))-

Registry Numbers

CAS Registry Number

  • 153448-17-0

System Generated Number

  • 0153448170

Structure Descriptors

InChI

1S/C25H26O9/c1-4-5-20(26)34-24-14-9-17-16(32-11-33-17)8-13(14)21(22-15(24)10-31-25(22)28)12-6-18(29-2)23(27)19(7-12)30-3/h6-9,15,21-22,24,27H,4-5,10-11H2,1-3H3/t15-,21+,22-,24-/m0/s1

InChIKey

IZICVMOVTLJVDP-ANCALKEFSA-N

Smiles

CCCC(=O)O[C@H]1c2cc3c(cc2[C@H]([C@@H]4[C@@H]1COC4=O)c5cc(c(c(c5)OC)O)OC)OCO3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 150mg/kg (150mg/kg)   Cancer Chemotherapy and Pharmacology. Vol. 32, Pg. 293, 1993.