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Substance Name: Squalamine [INN]
RN: 148717-90-2
UNII: F8PO54Z4V7
InChIKey: UIRKNQLZZXALBI-MSVGPLKSSA-N

Note

  • From dogfish shark Squalus acanthias.

Molecular Formula

  • C34-H65-N3-O5-S

Molecular Weight

  • 627.9695
 

Classification Codes

  • Angiogenesis Inhibitors
  • Angiogenesis Modulating Agents
  • Anti-Bacterial Agents
  • Anti-Infective Agents
  • Anticarcinogenic Agents
  • Antineoplastic
  • Antineoplastic Agents
  • Growth Inhibitors
  • Growth Substances
  • Protective Agents
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Names and Synonyms

Name of Substance

  • Squalamine
  • Squalamine [INN]

Synonyms

  • (3beta,5alpha,7alpha,24R)-3-((3-(4-(Aminobutyl)amino)propyl)amio)cholestane-7,24-diol 24-(hydrogen sulfate)
  • 3-((3-(4-(Aminobutyl)amino)propyl)amio)cholestane-7,24-diol 24-(hydrogen sulfate), (3beta,5alpha,7alpha,24R)-
  • 3beta-N-1-(N-(3-(4-Aminobutyl))-1,3-diaminopropane)-7alpha,24-dihydroxy-5alpha-cholestane 24-sulfate
  • Squalamine
  • UNII-F8PO54Z4V7

Systematic Name

  • Cholestane-7,24-diol, 3-((3-(4-(aminobutyl)amino)propyl)amio)-, 24-(hydrogen sulfate), (3beta,5alpha,7alpha,24R)-

Registry Numbers

CAS Registry Number

  • 148717-90-2

FDA UNII

  • F8PO54Z4V7

System Generated Number

  • 0148717902

Structure Descriptors

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

UIRKNQLZZXALBI-MSVGPLKSSA-N

Smiles

C[C@H](CC[C@H](C(C)C)OS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@@H]4[C@@]3(CC[C@@H](C4)NCCCNCCCCN)C)O)C