Trodusquemine
CAS Registry Number®
186139-09-3
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CAS Name
TrodusquemineMolecular Formula
C37H72N4O5SMolecular Mass
685.06Cite this Page
Trodusquemine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=186139-09-3 (retrieved ) (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
