Product Code
TRC-B657147
Product Format
Neat
Molecular Formula
C22¹³C2H23D2F7N4O4
Molecular Weight
570.47
Product Categories
Product Type
Stable Isotope LabelledUnlabelled CAS Number
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DismissAnalyte 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
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat
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](https://assets.lgcstandards.com/sys-master%2Fimages%2Fh34%2Fh10%2F10690542632990%2FB657147.png "2-(R)-[1-(R)-(3,5-Bis(trifluoromethyl)phenyl)ethoxy]-3-(S)-fluorophenyl-4-[(2-N-methoxycarbonyl)acetamidrazono]morpholine-13C2,d2 - CAS No.")