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Substance Name: Vinleucinol [INN]
RN: 81571-28-0
UNII: MUJ5BW9BWR
InChIKey: QSTPFUDHVVIGCL-MIESHYDTSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C51-H69-N5-O9

Molecular Weight

  • 896.1321
 
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Names and Synonyms

Name of Substance

  • Vinleucinol
  • Vinleucinol [INN]

Synonyms

  • (23(1S,2S))-4-Deacetyl-3-((1-carboxy-2-methylbutyl)carbamoyl)-3-de(methoxycarbonyl)vincaleukoblastine, ethyl ester
  • Ethyl N-(O-4-deacetylvinblasin-23-oyl)-L-isoleucinate
  • UNII-MUJ5BW9BWR
  • VILE
  • Vinleucinol
  • Vinleucinolum
  • Vinleucinolum [INN-Latin]

Systematic Names

  • (23(1S,2S))-4-Deacetyl-3-((1-carboxy-2-methylbutyl)carbamoyl)-3-de(methoxycarbonyl)vincaleukoblastine, ethyl ester
  • Vincaleukoblastine, O(sup 4)-deacetyl-3-de(methoxycarbonyl)-3-(((1-(ethoxycarbonyl)-2-methylbutyl)amino)carbonyl)-, (3(1S,2S))-

Registry Numbers

CAS Registry Number

  • 81571-28-0

FDA UNII

  • MUJ5BW9BWR

System Generated Number

  • 0081571280

Structure Descriptors

InChI

1S/C51H69N5O9/c1-9-30(5)39(41(57)65-12-4)53-45(59)51(62)43-49(20-23-56-21-15-19-48(11-3,42(49)56)44(51)58)34-24-35(38(63-7)25-37(34)54(43)6)50(46(60)64-8)27-31-26-47(61,10-2)29-55(28-31)22-18-33-32-16-13-14-17-36(32)52-40(33)50/h13-17,19,24-25,30-31,39,42-44,52,58,61-62H,9-12,18,20-23,26-29H2,1-8H3,(H,53,59)/t30-,31-,39-,42-,43+,44+,47-,48+,49+,50-,51-/m0/s1

InChIKey

QSTPFUDHVVIGCL-MIESHYDTSA-N

Smiles

CCOC(=O)[C@@H](NC(=O)[C@@]1(O)[C@H](O)[C@]2(CC)C=CCN3CC[C@@]4([C@H]23)[C@H]1N(C)c5cc(OC)c(cc45)[C@]6(C[C@H]7CN(CCc8c6[nH]c9ccccc89)C[C@](O)(CC)C7)C(=O)OC)[C@@H](C)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported 17700ug/kg (17.7mg/kg)   United States Patent Document. Vol. #4639456,