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Des-1,2,4-triazol-3-one-5-methyl (2S,3R,1'R)-Aprepitant

Product Code

TRC-D297835-250MG

CAS Number

1185503-48-3

Product Format

Neat

Molecular Formula

C20 H18 F7 N O2

Molecular Weight

437.351

Product Categories

TRC

Price and availability

48-hour USA dispatch time
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Product Information

Chemical Data

Analyte Name

Des-1,2,4-triazol-3-one-5-methyl (2S,3R,1'R)-Aprepitant

CAS Number

1185503-48-3

Molecular Formula

C20 H18 F7 N O2

Molecular Weight

437.351

Accurate Mass

437.123

SMILES

C[C@@H](O[C@@H]1OCCN[C@@H]1c2ccc(F)cc2)c3cc(cc(c3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C20H18F7NO2/c1-11(13-8-14(19(22,23)24)10-15(9-13)20(25,26)27)30-18-17(28-6-7-29-18)12-2-4-16(21)5-3-12/h2-5,8-11,17-18,28H,6-7H2,1H3/t11-,17-,18+/m1/s1

IUPAC

(2S,3R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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