Trodusquemine

CAS Registry Number®

186139-09-3

CAS Name

Trodusquemine

Molecular Formula

C37H72N4O5S

Molecular Mass

685.06

Cite this Page

Trodusquemine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=186139-09-3 (retrieved 2024-11-22) (CAS RN: 186139-09-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C37H72N4O5S/c1-26(2)34(46-47(43,44)45)13-10-27(3)30-11-12-31-35-32(15-17-37(30,31)5)36(4)16-14-29(24-28(36)25-33(35)42)41-23-9-22-40-20-7-6-19-39-21-8-18-38/h26-35,39-42H,6-25,38H2,1-5H3,(H,43,44,45)/t27-,28-,29+,30-,31+,32+,33-,34-,35+,36+,37-/m1/s1

InChIKey

InChIKey=WUJVPODXELZABP-FWJXURDUSA-N

SMILES

O[C@H]1[C@@]2([C@@]([C@]3(C)[C@@](C1)(C[C@@H](NCCCNCCCCNCCCN)CC3)[H])(CC[C@@]4(C)[C@]2(CC[C@@]4([C@@H](CC[C@@H](OS(=O)(=O)O)[C@H](C)C)C)[H])[H])[H])[H]

Canonical SMILES

O=S(=O)(O)OC(CCC(C)C1CCC2C3C(O)CC4CC(NCCCNCCCCNCCCN)CCC4(C)C3CCC12C)C(C)C

Other Names for this Substance

  • Cholestane-7,24-diol, 3-[[3-[[4-[(3-aminopropyl)amino]butyl]amino]propyl]amino]-, 24-(hydrogen sulfate), (3β,5α,7α,24R)-
  • Aminosterol 1436
  • MSI 1436
  • Trodusquemine

CAS INSIGHTSTM
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