Squalamine

CAS Registry Number®

148717-90-2

CAS Name

Squalamine

Molecular Formula

C34H65N3O5S

Molecular Mass

627.96

Cite this Page

Squalamine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=148717-90-2 (retrieved 2024-11-22) (CAS RN: 148717-90-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C34H65N3O5S/c1-23(2)31(42-43(39,40)41)12-9-24(3)27-10-11-28-32-29(14-16-34(27,28)5)33(4)15-13-26(21-25(33)22-30(32)38)37-20-8-19-36-18-7-6-17-35/h23-32,36-38H,6-22,35H2,1-5H3,(H,39,40,41)/t24-,25-,26+,27-,28+,29+,30-,31-,32+,33+,34-/m1/s1

InChIKey

InChIKey=UIRKNQLZZXALBI-MSVGPLKSSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Cholestane-7,24-diol, 3-[[3-[(4-aminobutyl)amino]propyl]amino]-, 24-(hydrogen sulfate), (3β,5α,7α,24R)-
  • Squalamine
  • MSI 1256
  • ENT 01 free base

Deleted or Replaced CAS Registry Numbers

167076-09-7

CAS INSIGHTSTM
Targeted protein degrader structure, illustration