Ivosidenib 13C5

Product Name Ivosidenib 13C5
Alternate Names Ivosidenib Stable Isotopes, Stable Isotopes of Ivosidenib
CAT No. CS-CX-00762
CAS No. 1448347-49-6 (Unlabeled)
Category Stable Isotopes
Stock Enquire
Mol. Wt. 587.93 g/mol
Mol. For. C2313C5H22ClF3N6O3
Hazardous This is not a Hazardous Compound
COA View Sample COA
MSDS View Sample MSDS
Parent API Ivosidenib
Smileys O=[13C]([13C@H]([13CH2][13CH2]1)N(C2=NC=CC(C#N)=C2)[13C]1=O)N([C@@H](C3=CC=CC=C3Cl)C(NC4CC(F)(F)C4)=O)C5=CC(F)=CN=C5
Canonical Smiles C1CC(=O)N(C1C(=O)N(C2=CC(=CN=C2)F)C(C3=CC=CC=C3Cl)C(=O)NC4CC(C4)(F)F)C5=NC=CC(=C5)C#N
InchIKey WIJZXSAJMHAVGX-DHLKQENFSA-N
Inchl InChI=1S/C28H22ClF3N6O3/c29-21-4-2-1-3-20(21)25(26(40)36-18-11-28(31,32)12-18)37(19-10-17(30)14-34-15-19)27(41)22-5-6-24(39)38(22)23-9-16(13-33)7-8-35-23/h1-4,7-10,14-15,18,22,25H,5-6,11-12H2,(H,36,40)/t22-,25-/m0/s1
IUPAC (2S)-N-[(1S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-1-(4-cyanopyridin-2-yl)-N-(5-fluoropyridin-3-yl)-5-oxopyrrolidine-2-carboxamide
Controlled No
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