Product Code

TRC-Z215235

Product Format

Neat

Molecular Formula

13C3 C24 H29 N5 O3

Molecular Weight

474.529

Product Categories

TRC, Stable isotopes

Product Type

Stable Isotope Labelled

Unlabelled CAS Number

1691249-45-2

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

Zanubrutinib-13C3

Molecular Formula

13C3 C24 H29 N5 O3

Molecular Weight

474.529

Accurate Mass

474.237

SMILES

NC(=O)c1c2NCC[C@@H](C3CCN(CC3)[13C](=O)[13CH]=[13CH2])n2nc1c4ccc(Oc5ccccc5)cc4

InChI

InChI=1S/C27H29N5O3/c1-2-23(33)31-16-13-18(14-17-31)22-12-15-29-27-24(26(28)34)25(30-32(22)27)19-8-10-21(11-9-19)35-20-6-4-3-5-7-20/h2-11,18,22,29H,1,12-17H2,(H2,28,34)/t22-/m0/s1/i1+1,2+1,23+1

IUPAC

(7S)-2-(4-phenoxyphenyl)-7-(1-(1,2,3-13C3)prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

Unlabelled CAS Number

1691249-45-2

SIL Type

Carbon

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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Zanubrutinib-13C3

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