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Substance Name: Ethyl N-(O-4-deacetyl-vinblastin-23-oyl)-L-tryptophanate
RN: 81571-34-8
InChIKey: IQDSXWRQCKDBMW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C56-H68-N6-O9

Molecular Weight

  • 969.1862
 
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Names and Synonyms

Results Name

  • Ethyl N-(O-4-deacetyl-vinblastin-23-oyl)-L-tryptophanate

Synonyms

  • Ethyl N-(O-4-deacetyl-vinblastin-23-oyl)-L-tryptophanate
  • V-Trp-E

Systematic Name

  • Vincaleukoblastine, O(sup 4)-deacetyl-3-de(methoxycarbonyl)-3-(((2-ethoxy-1-(1H-indol-3-ylmethyl)-2-oxoethyl)amino)carbonyl)-, (3(R))-

Registry Numbers

CAS Registry Number

  • 81571-34-8

System Generated Number

  • 0081571348

Structure Descriptors

InChI

1S/C56H68N6O9/c1-7-52(67)28-33-29-55(51(66)70-6,45-37(19-23-61(31-33)32-52)36-16-11-13-18-41(36)58-45)39-26-38-43(27-44(39)69-5)60(4)48-54(38)21-24-62-22-14-20-53(8-2,47(54)62)49(64)56(48,68)50(65)59-42(46(63)71-9-3)25-34-30-57-40-17-12-10-15-35(34)40/h10-18,20,26-27,30,33,42,47-49,57-58,64,67-68H,7-9,19,21-25,28-29,31-32H2,1-6H3,(H,59,65)

InChIKey

IQDSXWRQCKDBMW-UHFFFAOYSA-N

Smiles

CCC1(CC2CC(c3c(c4ccccc4[nH]3)CCN(C2)C1)(c5cc6c(cc5OC)N(C7C68CCN9C8C(C=CC9)(C(C7(C(=O)NC(Cc1c[nH]c2c1cccc2)C(=O)OCC)O)O)CC)C)C(=O)OC)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported 101mg/kg (101mg/kg)   United States Patent Document. Vol. #4639456,