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Substance Name: Vintafolide [USAN:INN]
RN: 742092-03-1
UNII: 36O410ZD4I
InChIKey: KUZYSQSABONDME-QRLOMCMNSA-N

Note

  • Has significant antiproliferative activity and tolerability, thus lending support to an ongoing phase 1 trial for the treatment of advanced malignancies.

Molecular Formula

  • C86-H109-N21-O26-S2

Molecular Weight

  • 1917.0601
 
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Names and Synonyms

Results Name

  • Vintafolide [USAN:INN]

Name of Substance

  • Desacetylvinblastine hydrazide conjugate with Folic acid
  • Vintafolide [USAN:INN]

Synonyms

  • Desacetylvinblastine hydrazide conjugate with Folic acid
  • EC 145
  • EC145
  • UNII-36O410ZD4I
  • Vintafolide
  • Vynfinit

Systematic Names

  • N-(4-(((2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl)amino)benzoyl)-L-alpha-glutamyl-L-alpha-aspartyl-L-arginyl-L-alpha-aspartyl-L-alpha-aspartyl-L-cysteine disulfide with methyl (5S,7R,9S)- 5-ethyl-9-((3aR,4R,5S,5aR,10bR,13aR)-3a-ethyl-4,5-dihydroxy-8-methoxy-6-methyl-5- ((2-((2-sulfanylethoxy)carbonyl)hydrazinyl)carbonyl)-3a,4,5,5a,6,11,12,13a-octahydro- 1H-indolizino(8,1-cd)carbazol-9-yl)-5-hydroxy-1,4,5,6,7,8,9,10-octahydro-2H-3,7-methanoazacycloundecino(5,4-b)indol-9-carboxylate
  • Vincaleukoblastin-23-oic acid, O4-deacetyl-, 2-((2-mercaptoethoxy)carbonyl)hydrazide, disulfide with N-(4-(((2-amino-3,4-dihydro-4-oxo-6-pteridinyl)methyl)amino)benzoyl)-L-alpha-glutamyl-L-alpha-aspartyl-L-arginyl-L-alpha-aspartyl-L-alpha-aspartyl-L-cysteine

Registry Numbers

CAS Registry Number

  • 742092-03-1

FDA UNII

  • 36O410ZD4I

Other Registry Numbers

  • 913082-11-8
  • 926623-17-8

System Generated Number

  • 0742092031

Structure Descriptors

InChI

1S/C86H109N21O26S2/c1-6-82(129)35-42-36-85(78(127)132-5,64-47(21-26-106(39-42)41-82)46-12-8-9-13-50(46)95-64)49-30-48-57(34-58(49)131-4)105(3)75-84(48)23-27-107-25-11-22-83(7-2,74(84)107)76(125)86(75,130)77(126)103-104-81(128)133-28-29-134-135-40-56(73(123)124)100-70(119)55(33-62(113)114)99-69(118)54(32-61(111)112)98-67(116)51(14-10-24-90-79(87)88)96-68(117)53(31-60(109)110)94-59(108)20-19-52(72(121)122)97-66(115)43-15-17-44(18-16-43)91-37-45-38-92-65-63(93-45)71(120)102-80(89)101-65/h8-9,11-13,15-18,22,30,34,38,42,51-56,74-76,91,95,125,129-130H,6-7,10,14,19-21,23-29,31-33,35-37,39-41H2,1-5H3,(H,94,108)(H,96,117)(H,97,115)(H,98,116)(H,99,118)(H,100,119)(H,103,126)(H,104,128)(H,109,110)(H,111,112)(H,113,114)(H,121,122)(H,123,124)(H4,87,88,90)(H3,89,92,101,102,120)/t42-,51-,52-,53-,54-,55-,56-,74-,75+,76+,82-,83+,84+,85-,86-/m0/s1

InChIKey

KUZYSQSABONDME-QRLOMCMNSA-N

Smiles

CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[C@H]7[C@](O)([C@H](O)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)NNC(=O)OCCSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)CC[C@H](NC(=O)c%10ccc(NCc%11cnc%12N=C(N)NC(=O)c%12n%11)cc%10)C(=O)O)C(=O)O)C1