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Chemical structure of Betrixaban D6

GC61748

Betrixaban D6

Also known as 2-[[4-[(E)-[bis(trideuteriomethyl)hydrazinylidene]methyl]benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-methoxybenzamide

Betrixaban D6 is a deuterium labeled Betrixaban

ChemicalCAS2098655-51-5MW457.94FormulaC23H16D6ClN5O3
CAS number
2098655-51-5
Molecular weight
457.94
Formula
C23H16D6ClN5O3
Solubility
DMSO ： 25 mg/mL (54·59 mM; Need ultrasonic)
InChIKey
PGOYJYHMBCZDLN-YJKHHXLJSA-N
Catalogue number
GC61748
Brand
GLPBIO
Computed properties PubChem CID 145925630 · XLogP 4.2 · TPSA 95.9 Ų · H-bond donors 2
XLogP
4.2
TPSA
95.9 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
32

SMILES [2H]C([2H])([2H])N(C([2H])([2H])[2H])/N=C/C1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)OC)C(=O)NC3=NC=C(C=C3)Cl

Computed descriptors from PubChem (CID 145925630), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Pricing
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Documents
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