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Chemical structure of Robenidine-d8 hydrochloride

GC76111

Robenidine-d8 hydrochloride

Also known as 1,2-bis[(E)-(4-chloro-2,3,5,6-tetradeuteriophenyl)methylideneamino]guanidine;hydrochloride

Robenidine-d8 (hydrochloride) is the deuterium labeled Robenidine hydrochloride

ChemicalCAS1173097-77-2MW378.71FormulaC15H6D8Cl3N5
CAS number
1173097-77-2
Molecular weight
378.71
Formula
C15H6D8Cl3N5
Solubility
DMSO： 6·25 mg/mL (16·50 mM; Need ultrasonic); H2O： 1 mg/mL (2·64 mM; Need ultrasonic (＜80°C))
InChIKey
LTWIBTYLSRDGHP-YVXDQVGZSA-N
Catalogue number
GC76111
Brand
GLPBIO
Computed properties PubChem CID 71312426 · TPSA 75.1 Ų · H-bond donors 3 · H-bond acceptors 3
TPSA
75.1 Ų
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
23

SMILES [2H]C1=C(C(=C(C(=C1/C=N/N/C(=N/N=C/C2=C(C(=C(C(=C2[2H])[2H])Cl)[2H])[2H])/N)[2H])[2H])Cl)[2H].Cl

Computed descriptors from PubChem (CID 71312426), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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