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Substance Name: Dibenzoylcevine
RN: 1301-67-3
InChIKey: GMDIBVJDVRKJIL-MARILHKFSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C41-H51-N-O10

Molecular Weight

  • 717.8509
 
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Names and Synonyms

Results Name

  • Dibenzoylcevine

Synonyms

  • 4,9-Epoxycevane-3-alpha,4-beta,12,14,16-beta,17,20-heptol dibenzoate (ester)
  • Cevane-3,4,12,14,16,17,20-heptol, 4,9-epoxy-, dibenzoate (ester), (3-alpha,4-alpha,16-beta)-
  • Dibenzoylcevin
  • Dibenzoylcevin [German]
  • Dibenzoylcevine

Systematic Name

  • Cevane-3-alpha,4-beta,12,14,16-beta,17,20-heptol, 4,9-epoxy-, dibenzoate (ester)

Registry Numbers

CAS Registry Number

  • 1301-67-3

System Generated Number

  • 0001301673

Structure Descriptors

InChI

1S/C41H51NO10/c1-24-14-17-30-36(3,46)40(49)29(22-42(30)21-24)38(48)23-39-28(37(38,47)20-31(40)43)16-15-27-35(39,2)19-18-32(50-33(44)25-10-6-4-7-11-25)41(27,52-39)51-34(45)26-12-8-5-9-13-26/h4-13,24,27-32,43,46-49H,14-23H2,1-3H3/t24-,27?,28-,29-,30-,31-,32+,35-,36+,37?,38?,39?,40?,41-/m0/s1

InChIKey

GMDIBVJDVRKJIL-MARILHKFSA-N

Smiles

C[C@H]1CC[C@H]2[C@@](C3([C@H](CC4([C@@H]5CCC6[C@]7(C5(CC4([C@@H]3CN2C1)O)O[C@@]6([C@@H](CC7)OC(=O)c8ccccc8)OC(=O)c9ccccc9)C)O)O)O)(C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
frog LDLo unreported 606mg/kg (606mg/kg)   Berichte der Deutschen Chemischen Gesellschaft. Vol. 37, Pg. 1946, 1904.
mouse LD50 intravenous 87mg/kg (87mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 21, Pg. 743, 1956.