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Substance Name: 4'-Demethylpodophyllotoxin beta-D-benzylidene glucoside
RN: 40553-78-4
InChIKey: RHRMTILDFUYBOD-ZHPHRDAVSA-N

Molecular Formula

  • C34-H34-O13

Molecular Weight

  • 650.6296
 
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Names and Synonyms

Results Name

  • 4'-Demethylpodophyllotoxin beta-D-benzylidene glucoside

Synonyms

  • 4'-Demethylpodophyllotoxin 4,6-O-benzylidene-beta-D-glucopyranoside
  • 4'-Demethylpodophyllotoxin beta-D-benzylidene glucoside
  • 4,6-O-Benzylidene-beta-D-glucopyranoside-4'-demethylpodophyllotoxin
  • Podophyllotoxin, 4'-demethyl-, 4,6-O-benzylidene-beta-D-glucopyranoside
  • Podophyllotoxin, 4'-demethyl-4,6-O-benzylidene-beta-D-glucopyranoside
  • SP-G Iib

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 40553-78-4

Other Registry Numbers

  • 11031-29-1
  • 160784-29-2

System Generated Number

  • 0040553784

Structure Descriptors

InChI

1S/C34H34O13/c1-39-22-8-16(9-23(40-2)27(22)35)25-17-10-20-21(44-14-43-20)11-18(17)30(19-12-41-32(38)26(19)25)46-34-29(37)28(36)31-24(45-34)13-42-33(47-31)15-6-4-3-5-7-15/h3-11,19,24-26,28-31,33-37H,12-14H2,1-2H3/t19-,24?,25+,26-,28+,29+,30-,31+,33?,34-/m0/s1

InChIKey

RHRMTILDFUYBOD-ZHPHRDAVSA-N

Smiles

COc1cc(cc(c1O)OC)[C@@H]2c3cc4c(cc3[C@@H]([C@@H]5[C@@H]2C(=O)OC5)O[C@H]6[C@@H]([C@H]([C@H]7C(O6)COC(O7)c8ccccc8)O)O)OCO4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 150mg/kg (150mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 3, Pg. 187, 1969.
mouse LD50 intravenous 583mg/kg (583mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 3, Pg. 390, 1969.
mouse LD50 oral 1290mg/kg (1290mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 3, Pg. 390, 1969.
mouse LD50 subcutaneous > 2gm/kg (2000mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 3, Pg. 390, 1969.
rat LD50 intravenous > 500mg/kg (500mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 3, Pg. 390, 1969.
rat LD50 oral 823mg/kg (823mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 3, Pg. 390, 1969.
rat LD50 subcutaneous > 480mg/kg (480mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 3, Pg. 390, 1969.