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Substance Name: Squalamine lactate [USAN]
RN: 320725-47-1
UNII: BB0CTI216I
InChIKey: JMNXSNUXDHHTKQ-QVMSTPCGSA-N

Classification Codes

  • Angiogenesis Inhibitor
  • Antineoplastic used in the Treatment of Advanced Malignancies (Angiogenesis Inhibitor)

Molecular Formula

  • C34-H65-N3-O5-S.x-C3-H6-O3.H2-O

Molecular Weight

  • 718.0469
 
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Names and Synonyms

Name of Substance

  • Squalamine lactate [USAN]

Synonyms

  • MSI 1256F
  • MSI-1256F
  • Squalamine lactate
  • UNII-BB0CTI216I

Systematic Names

  • Cholestane-7,24-diol, 3-((3-((4-aminobutyl)amino)propyl)amino)-, 24-(hydrogen sulfate), (3beta,5alpha,7alpha,24R)-, (2S)-2-hydroxypropanoate (salt)
  • Propanoic acid, 2-hydroxy-, (2S)-, compd. with (3beta,5alpha,7alpha,24R)-3-((3-((4-aminobutyl)amino)propyl)amino)-7-hydroxycholestan-24-yl hydrogen sulfate

Registry Numbers

CAS Registry Number

  • 320725-47-1

FDA UNII

  • BB0CTI216I

System Generated Number

  • 0320725471

Molecular Formulas

Molecular Formula

  • C34-H65-N3-O5-S.x-C3-H6-O3.H2-O

Molecular Formula Fragments

  • C3-H6-O3
  • C34-H65-N3-O5-S
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C34H65N3O5S.C3H6O3/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;1-2(4)3(5)6/h23-32,36-38H,6-22,35H2,1-5H3,(H,39,40,41);2,4H,1H3,(H,5,6)/t24-,25-,26+,27-,28+,29+,30-,31-,32+,33+,34-;2-/m10/s1

InChIKey

JMNXSNUXDHHTKQ-QVMSTPCGSA-N

Smiles

CC(C)[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)NCCCNCCCCN)OS(=O)(=O)O.C[C@H](O)C(=O)O