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Chemical structure of Mavacamten-d5

GC72814

Mavacamten-d5

Also known as 6-[[(1S)-1-(2,3,4,5,6-pentadeuteriophenyl)ethyl]amino]-3-propan-2-yl-1H-pyrimidine-2,4-dione

Mavacamten-d5 (MYK461-d5; SAR439152-d5) is deuterium labeled Mavacamten

ChemicalCAS2453251-00-6MW278.36FormulaC15H14D5N3O2
CAS number
2453251-00-6
Molecular weight
278.36
Formula
C15H14D5N3O2
Solubility
DMSO ： 100 mg/mL (359·25 mM; Need ultrasonic)
InChIKey
RLCLASQCAPXVLM-MEKJEUOKSA-N
Catalogue number
GC72814
Brand
GLPBIO
Computed properties PubChem CID 151733783 · XLogP 2.1 · TPSA 61.4 Ų · H-bond donors 2
XLogP
2.1
TPSA
61.4 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
20

SMILES [2H]C1=C(C(=C(C(=C1[2H])[2H])[C@H](C)NC2=CC(=O)N(C(=O)N2)C(C)C)[2H])[2H]

Computed descriptors from PubChem (CID 151733783), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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