Navelbine

CAS Registry Number®

125317-39-7
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CAS Name

Navelbine

Molecular Formula

C45H54N4O8.2C4H6O6

Cite this Page

Navelbine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=125317-39-7 (retrieved 2024-04-20) (CAS RN: 125317-39-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    190 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C45H54N4O8.C4H6O6/c1-8-27-19-28-22-44(40(51)55-6,36-30(25-48(23-27)24-28)29-13-10-11-14-33(29)46-36)32-20-31-34(21-35(32)54-5)47(4)38-43(31)16-18-49-17-12-15-42(9-2,37(43)49)39(57-26(3)50)45(38,53)41(52)56-7;5-1(3(7)8)2(6)4(9)10/h10-15,19-21,28,37-39,46,53H,8-9,16-18,22-25H2,1-7H3;1-2,5-6H,(H,7,8)(H,9,10)/t28-,37-,38+,39+,42+,43+,44-,45-;1-,2-/m01/s1

InChIKey

InChIKey=UUHYRRXICWUZHW-RPZOAHRESA-N

SMILES

C(C)[C@@]12[C@]3([C@@]4([C@]([C@](C(OC)=O)(O)[C@@H]1OC(C)=O)(N(C)C=5C4=CC(=C(OC)C5)[C@]6(C(OC)=O)C7=C(C=8C(N7)=CC=CC8)C[N@@]9C[C@](C6)(C=C(CC)C9)[H])[H])CCN3CC=C2)[H].[C@@H]([C@H](C(O)=O)O)(C(O)=O)O

Canonical SMILES

O=C(O)C(O)C(O)C(=O)O.O=C(OC1C(O)(C(=O)OC)C2N(C3=CC(OC)=C(C=C3C42CCN5CC=CC1(CC)C54)C6(C(=O)OC)C=7NC=8C=CC=CC8C7CN9CC(=CC(C9)C6)CC)C)C

Other Names for this Substance

  • Aspidospermidine-3-carboxylic acid, 4-(acetyloxy)-6,7-didehydro-15-[(2R,6R,8S)-4-ethyl-1,3,6,7,8,9-hexahydro-8-(methoxycarbonyl)-2,6-methano-2H-azecino[4,3-b]indol-8-yl]-3-hydroxy-16-methoxy-1-methyl-, methyl ester, (2β,3β,4β,5α,12R,19α)-, (2R,3R)-2,3-dihydroxybutanedioate (1:2) (salt)
  • C′-Norvincaleukoblastine, 3′,4′-didehydro-4′-deoxy-, [R-(R*,R*)]-2,3-dihydroxybutanedioate (1:2) (salt)
  • Vinorelbine ditartrate
  • KW 2307
  • Navelbine ditartrate

View All

Deleted or Replaced CAS Registry Numbers

892125-21-2

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