Aprepitant Beta-Glucuronide Sodium Salt
CAS: 321125-94-4
Ref. TR-A729810
| 1mg | Discontinued | ||
| 10mg | Discontinued | ||
| 25mg | Discontinued |
Product Information
Name:
Aprepitant Beta-Glucuronide Sodium Salt
Synonyms:
- 5-[[(2R,3S)-2-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one Glucuronide Sodium Salt
- sodium (2S,3S,4S,5R,6R)-6-(3-(((2R,3S)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholino)methyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylate
Description:
Applications A metabolite of Aprepitant (A729800).
References Dean, B., et al.: Drug Metab. Rev., 32, 261 (2000),
Notice:
Our products are intended for lab use only. For any other use, please contact us.
Brand:
TRC
Long term storage:
Notes:
Chemical properties
Molecular weight:
732.54
Formula:
C29H28F7N4NaO9
Color/Form:
Off-White to Pale Yellow Solid
InChI:
InChI=1S/C29H29F7N4O9.Na/c1-12(14-8-15(28(31,32)33)10-16(9-14)29(34,35)36)48-26-19(13-2-4-17(30)5-3-13)39(6-7-47-26)11-18-37-38-27(46)40(18)24-22(43)20(41)21(42)23(49-24)25(44)45;/h2-5,8-10,12,19-24,26,41-43H,6-7,11H2,1H3,(H,38,46)(H,44,45);/q;+1/p-1/t12-,19+,20+,21+,22-,23?,24-,26-;/m1./s1
InChI key:
InChIKey=KEBATMWUTOYUMV-NDMBMNNESA-M
SMILES:
C[C@@H](O[C@H]1OCCN(Cc2n[nH]c(=O)[nH]2)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.C[C@@H]1O[C@H](C(=O)O[Na])[C@@H](O)[C@H](O)[C@H]1O
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HS code:
