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Hexamethylenetetramine-[d12]

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General Information
Catalog: BLP-012379
CAS: 23304-08-7
Molecular Formula: C6D12N4
Molecular Weight: 152.26

Chemical Structure

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