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Hexamethylenetetramine-[d12]

General Information
Catalog: BLP-012379
CAS: 23304-08-7
Molecular Formula: C6D12N4
Molecular Weight: 152.26
Chemical Structure
Hexamethylenetetramine-[d12]
Description Hexamethylenetetramine-[d12] is the labelled analogue of Hexamethylenetetramine. It is used in the treatment of urinary track infection.
Synonyms Hexamethylenetetramine-d12; 1,3,5,7-Tetraazatricyclodecane-d12; Aceto HMT-d12; Aminoform-d12; Ammoform-d12; Antihydral-d12; Cystogen-d12
IUPAC Name 2,2,4,4,6,6,8,8,9,9,10,10-dodecadeuterio-1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
Related CAS 100-97-0 (unlabelled)
Isomeric SMILES [2H]C1(N2C(N3C(N1C(N(C2([2H])[2H])C3([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])[2H]
Canonical SMILES C1N2CN3CN1CN(C2)C3
InChI InChI=1S/C6H12N4/c1-7-2-9-4-8(1)5-10(3-7)6-9/h1-6H2/i1D2,2D2,3D2,4D2,5D2,6D2
InChI Key VKYKSIONXSXAKP-LBTWDOQPSA-N
Boiling Point 252.7±8.0 °C at 760 mmHg
Melting Point >245°C (dec.)
Purity 95% by HPLC; 95% atom D
Density 1.4±0.1 g/cm3
Solubility Soluble in DMSO, Methanol
Appearance White to Off-white Solid
Storage Store at -20°C

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