1-Demethylvincaleukoblastine

CAS Registry Number®

18172-50-4
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CAS Name

1-Demethylvincaleukoblastine

Molecular Formula

C45H56N4O9

Molecular Mass

796.95

Cite this Page

1-Demethylvincaleukoblastine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=18172-50-4 (retrieved 2024-04-29) (CAS RN: 18172-50-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C45H56N4O9/c1-7-41(53)22-27-23-44(39(51)56-5,35-29(14-18-48(24-27)25-41)28-12-9-10-13-32(28)46-35)31-20-30-33(21-34(31)55-4)47-36-43(30)16-19-49-17-11-15-42(8-2,37(43)49)38(58-26(3)50)45(36,54)40(52)57-6/h9-13,15,20-21,27,36-38,46-47,53-54H,7-8,14,16-19,22-25H2,1-6H3/t27-,36+,37-,38+,41-,42+,43-,44-,45-/m0/s1

InChIKey

InChIKey=OBEIXXHHUOSBLA-UQUCNHJPSA-N

SMILES

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

Canonical SMILES

O=C(OC1C(O)(C(=O)OC)C2NC3=CC(OC)=C(C=C3C42CCN5CC=CC1(CC)C54)C6(C(=O)OC)C=7NC=8C=CC=CC8C7CCN9CC(CC(O)(C9)CC)C6)C

Other Names for this Substance

  • Vincaleukoblastine, 1-demethyl-
  • 1-Demethylvincaleukoblastine
  • N-Demethylvinblastine
  • N-Deformylvincristine
  • N-Demethylvincaleukoblastine

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