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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

Aprepitant-M3 Metabolite

O=C1CO[C@@H]([C@@H](N1)c1ccc(cc1)F)O[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C Request for Quotation
Chemical Name: Aprepitant-M3 Metabolite
CAS Number: 419574-04-2
Product Number: AG00C917(AGN-PC-0WAHVO)
Synonyms:
MDL No:
Molecular Formula: C20H16F7NO3
Molecular Weight: 451.3347624

Identification/Properties

Properties
MP:
58 - 65°C
Storage:
-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
451.341g/mol
XLogP3:
4.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
10
Rotatable Bond Count:
4
Exact Mass:
451.102g/mol
Monoisotopic Mass:
451.102g/mol
Topological Polar Surface Area:
47.6A^2
Heavy Atom Count:
31
Formal Charge:
0
Complexity:
597
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
3
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

NMR Spectrum

Other Analytical Data

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