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Substance Name: Bis(N-ethylidenevindesine)disulfide sulfate
RN: 73609-98-0
InChIKey: MAUYSZOTGJUYCZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C90-H116-N10-O14-S2.(H2-O4-S)x-

Molecular Weight

  • 1822.25
 
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Names and Synonyms

Results Name

  • Bis(N-ethylidenevindesine)disulfide sulfate

Synonym

  • Bis(N-ethylidenevindesine)disulfide, sulfate salt

Systematic Name

  • Vincaleukoblastine, 3,3-dithiobis(ethyleneiminocarbonyl)bis(O(sup 4)-deacetyl-3-de(methoxycarbonyl)-, sulfate

Registry Numbers

CAS Registry Number

  • 73609-98-0

System Generated Number

  • 0073609980

Molecular Formulas

Molecular Formula

  • C90-H116-N10-O14-S2.(H2-O4-S)x-

Molecular Formula Fragments

  • C90-H116-N10-O14-S2
  • COMPONENT
  • H2-O4-S

Structure Descriptors

InChI

1S/C90H116N10O14S2.2H2O4S/c1-11-81(107)45-53-47-87(79(105)113-9,69-57(25-35-97(49-53)51-81)55-21-15-17-23-63(55)93-69)61-41-59-65(43-67(61)111-7)95(5)73-85(59)29-37-99-33-19-27-83(13-3,71(85)99)75(101)89(73,109)77(103)91-31-39-115-116-40-32-92-78(104)90(110)74-86(30-38-100-34-20-28-84(14-4,72(86)100)76(90)102)60-42-62(68(112-8)44-66(60)96(74)6)88(80(106)114-10)48-54-46-82(108,12-2)52-98(50-54)36-26-58-56-22-16-18-24-64(56)94-70(58)88;2*1-5(2,3)4/h15-24,27-28,41-44,53-54,71-76,93-94,101-102,107-110H,11-14,25-26,29-40,45-52H2,1-10H3,(H,91,103)(H,92,104);2*(H2,1,2,3,4)

InChIKey

MAUYSZOTGJUYCZ-UHFFFAOYSA-N

Smiles

CCC1(CC2CC(c3c(c4ccccc4[nH]3)CCN(C2)C1)(c5cc6c(cc5OC)N(C7C68CCN9C8C(C=CC9)(C(C7(C(=O)NCCSSCCNC(=O)C1(C2C3(CCN4C3C(C1O)(C=CC4)CC)c1cc(c(cc1N2C)OC)C1(CC2CC(CN(C2)CCc2c1[nH]c1c2cccc1)(CC)O)C(=O)OC)O)O)O)CC)C)C(=O)OC)O.OS(=O)(=O)O.OS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 7mg/kg (7mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 391, 1979.