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Chemical structure of Entrectinib-d8

GC72974

Entrectinib-d8

Also known as N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-(2,2,3,3,5,5,6,6-octadeuterio-4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide

Entrectinib-d8 (NMS-E628-d8; RXDX-101-d8) is a deuterated version of Entrectinib

ChemicalCAS2251773-94-9MW568.69FormulaC31H26D8F2N6O2
CAS number
2251773-94-9
Molecular weight
568.69
Formula
C31H26D8F2N6O2
Solubility
DMSO ： 100 mg/mL (175·84 mM; Need ultrasonic)
InChIKey
HAYYBYPASCDWEQ-JNJBWJDISA-N
Catalogue number
GC72974
Brand
GLPBIO
Computed properties PubChem CID 146444354 · XLogP 5.7 · TPSA 85.5 Ų · H-bond donors 3
XLogP
5.7
TPSA
85.5 Ų
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
41

SMILES [2H]C1(C(N(C(C(N1C)([2H])[2H])([2H])[2H])C2=CC(=C(C=C2)C(=O)NC3=NNC4=C3C=C(C=C4)CC5=CC(=CC(=C5)F)F)NC6CCOCC6)([2H])[2H])[2H]

Computed descriptors from PubChem (CID 146444354), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Documents
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