Vintriptol

CAS Registry Number®

81600-06-8
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CAS Name

Vintriptol

Molecular Formula

C56H68N6O9

Molecular Mass

969.17

Cite this Page

Vintriptol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=81600-06-8 (retrieved 2024-05-18) (CAS RN: 81600-06-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey=IQDSXWRQCKDBMW-UHFFFAOYSA-N

SMILES

C(C)C12C3C4(C(C(C(NC(CC=5C=6C(NC5)=CC=CC6)C(OCC)=O)=O)(O)C1O)N(C)C=7C4=CC(=C(OC)C7)C8(C(OC)=O)C9=C(C=%10C(N9)=CC=CC%10)CCN%11CC(C8)CC(CC)(O)C%11)CCN3CC=C2

Canonical SMILES

O=C(OCC)C(NC(=O)C1(O)C(O)C2(C=CCN3CCC4(C5=CC(=C(OC)C=C5N(C)C14)C6(C(=O)OC)C=7NC=8C=CC=CC8C7CCN9CC(CC(O)(C9)CC)C6)C32)CC)CC%10=CNC=%11C=CC=CC%11%10

Other Names for this Substance

  • Vincaleukoblastine, O4-deacetyl-3-de(methoxycarbonyl)-3-[[[(1S)-2-ethoxy-1-(1H-indol-3-ylmethyl)-2-oxoethyl]amino]carbonyl]-
  • Vincaleukoblastine, O4-deacetyl-3-de(methoxycarbonyl)-3-[[[2-ethoxy-1-(1H-indol-3-ylmethyl)-2-oxoethyl]amino]carbonyl]-, [3(S)]-
  • 1H-Indolizino[8,1-cd]carbazole, vincaleukoblastine deriv.
  • 2H-3,7-Methanoazacycloundecino[5,4-b]indole, vincaleukoblastine deriv.
  • O4-Deacetyl-3-de(methoxycarbonyl)-3-[[[(1S)-2-ethoxy-1-(1H-indol-3-ylmethyl)-2-oxoethyl]amino]carbonyl]vincaleukoblastine

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Deleted or Replaced CAS Registry Numbers

95273-87-3, 128529-73-7

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