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Chemical structure of rac Bendroflumethiazide-d5

GC76079

rac Bendroflumethiazide-d5

Also listed as (Rac)-Bendroflumethiazide-d5

(Rac)-Bendroflumethiazide-d5 is the deuterium labeled (Rac)-Bendroflumethiazide

ChemicalCAS1330183-13-5MW426.45FormulaC15H9D5F3N3O4S2
CAS number
1330183-13-5
Molecular weight
426.45
Formula
C15H9D5F3N3O4S2
Solubility
DMSO： 250 mg/mL (586·24 mM; Need ultrasonic)
InChIKey
HDWIHXWEUNVBIY-RALIUCGRSA-N
Catalogue number
GC76079
Brand
GLPBIO
Computed properties PubChem CID 71313654 · XLogP 1.2 · TPSA 135 Ų · H-bond donors 3
XLogP
1.2
TPSA
135 Ų
H-bond donors
3
H-bond acceptors
10
Rotatable bonds
3
Heavy atoms
27

SMILES [2H]C1=C(C(=C(C(=C1[2H])[2H])CC2NC3=C(C=C(C(=C3)C(F)(F)F)S(=O)(=O)N)S(=O)(=O)N2)[2H])[2H]

Computed descriptors from PubChem (CID 71313654), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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