Products 186139-09-3

CAS 186139-09-3 appears in our catalog under these names: Trodusquemine, MSI–1436 (Trodusquemine), MSI-1436, 95.0%. Offered by: TRC, GLPBio, Biosynth, MedChemExpress. Available pack sizes: 50mg, 1mg, 10mg, 5mg, 25mg, Get quote.

Trodusquemine
TRC, Biosynth
  • size: 50mg, 5mg, 10mg, 25mg
  • Variants: 5
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MSI–1436 (Trodusquemine)
GLPBio
  • size: 1mg, 10mg, 5mg, 50mg
  • Variants: 4
from 2562.85
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MSI-1436, 95.0%
MedChemExpress
  • size: Get quote
  • Variants: 1
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Structural formula: {0} (CAS {1})

Trodusquemine is a bile acid.

Source: ChEBI

Identity
Molecular formulaC37H72N4O5S
Molecular weight685.1 g/mol
IUPAC name[(3R,6R)-6-[(3S,5R,7R,8R,9S,10S,13R,14S,17R)-3-[3-[4-(3-aminopropylamino)butylamino]propylamino]-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptan-3-yl] hydrogen sulfate
InChIKeyWUJVPODXELZABP-FWJXURDUSA-N
SMILESC[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)NCCCNCCCCNCCCN)C)O)C

Computed by PubChem (NCBI)

Synonyms: Trodusquemine, Trodusquemina, trodusqueminum, Produlestan, Trodulamine, Trodusquemine [USAN], Trodusquemine [USAN:INN], 3-n-1(spermine)-7, 24-dihydroxy-5-cholestane 24-sulfate, TRODUSQUEMINE [INN], Trodusquemine (USAN/INN)
Related forms of this compound
[(3R,6R)-6-[(3R,5R,7R,8R,9S,10S,13R,14S,17R)-3-[3-[4-(3-aminopropylamino)butylamino]propylamino]-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptan-3-yl] hydrogen sulfate C37H72N4O5S