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L-703,606 oxalate salt hydrate

SIGMA/L119 - solid

Synonym: cis-2-(Diphenylmethyl)-N-[(2-iodophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine oxalate salt

CAS Number: 351351-06-9 (anhydrous)
Empirical Formula (Hill Notation): C27H29IN2 · C2H2O4 · xH2O
Molecular Weight: 598.47 (anhydrous basis)
MDL Number: MFCD11045930
Linear Formula: C27H29IN2 · C2H2O4 · xH2O
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-L119-5MG 5 mg
 $194.00
1/EA		 Add To Favorites
45-L119-25MG 25 mg
 $725.00
1/EA		 Add To Favorites

 

color white
form solid
InChI 1S/C27H29IN2.C2H2O4.H2O/c28-24-14-8-7-13-23(24)19-29-26-22-15-17-30(18-16-22)27(26)25(20-9-3-1-4-10-20)21-11-5-2-6-12-21;3-1(4)2(5)6;/h1-14,22,25-27,29H,15-19H2;(H,3,4)(H,5,6);1H2/t26-,27-;;/m1../s1
InChI key NJAUFRHNYIJKDW-AJUXDCMMSA-N
Quality Level 100 
SMILES string O.OC(=O)C(O)=O.Ic1ccccc1CN[C@@H]2C3CCN(CC3)[C@@H]2C(c4ccccc4)c5ccccc5
solubility 45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: 11 mg/mL
  DMSO: >10 mg/mL
  H2O: slightly soluble <2 mg/mL
storage condition desiccated
Biochem/physiol Actions: Potent and selective non-peptide NK-1 tachykinin receptor antagonist.
Disclaimer: Hygroscopic
Packaging: 5, 25 mg in glass bottle
RIDADR NONH for all modes of transport
WGK Germany WGK 3
Flash Point(F) Not applicable
Flash Point(C) Not applicable
UNSPSC 12352200

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