Product Code

TRC-B657147

Product Format

Neat

Molecular Formula

C22¹³C2H23D2F7N4O4

Molecular Weight

570.47

Product Categories

TRC, Stable isotopes

Product Type

Stable Isotope Labelled

Unlabelled CAS Number

219821-37-1

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

2-(R)-[1-(R)-(3,5-Bis(trifluoromethyl)phenyl)ethoxy]-3-(S)-fluorophenyl-4-[(2-N-methoxycarbonyl)acetamidrazono]morpholine-13C2,d2

Molecular Formula

C22¹³C2H23D2F7N4O4

Molecular Weight

570.47

Accurate Mass

570.2

SMILES

[2H][C@@](O[C@H]1OCCN([13CH2]/[13C](N)=N\NC(OC)=O)[C@H]1C2=CC=C(F)C=C2)(C[2H])C3=CC(C(F)(F)F)=CC(C(F)(F)F)=C3

InChI

InChI=1S/C24H25F7N4O4/c1-13(15-9-16(23(26,27)28)11-17(10-15)24(29,30)31)39-21-20(14-3-5-18(25)6-4-14)35(7-8-38-21)12-19(32)33-34-22(36)37-2/h3-6,9-11,13,20-21H,7-8,12H2,1-2H3,(H2,32,33)(H,34,36)/t13?,20-,21+/m0/s1/i1D,12+1,13D,19+1

IUPAC

methyl (E)-2-(1-amino-2-((2R,3S)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy-1,2-d2)-3-(4-fluorophenyl)morpholino)ethylidene-1,2-13C2)hydrazine-1-carboxylate

Unlabelled CAS Number

219821-37-1

SIL Type

Carbon, Deuterium

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Product Description

Labelled Aprepitant derivative.

References: Ballard, T., et al.: Eur. J. Pharmacol., 412, 255

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2-(R)-[1-(R)-(3,5-Bis(trifluoromethyl)phenyl)ethoxy]-3-(S)-fluorophenyl-4-[(2-N-methoxycarbonyl)acetamidrazono]morpholine-13C2,d2

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