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Carbosulfan-[d18]

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General Information
Catalog: BLP-002156
CAS: 1189903-75-0
Molecular Formula: C20H14D18N2O3S
Molecular Weight: 398.66

Chemical Structure

Synonyms	N-[(Dibutyl-d18-amino)thio]-N-methylcarbamic Acid 2,3-Dihydro-2,2-dimethyl-7-benzofuranyl Ester; Carbosulfan D18; 2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl ({bis[(2H9)butyl]amino}sulfanyl)methylcarbamate
IUPAC Name	(2,2-dimethyl-3H-1-benzofuran-7-yl) N-[bis(1,1,2,2,3,3,4,4,4-nonadeuteriobutyl)amino]sulfanyl-N-methylcarbamate
Related CAS	55285-14-8 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])N(C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C
Canonical SMILES	CCCCN(CCCC)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C
InChI	InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3/i1D3,2D3,6D2,7D2,8D2,9D2,13D2,14D2
InChI Key	JLQUFIHWVLZVTJ-UAIYZDRASA-N
Purity	98% (CP); 98% atom D
Solubility	Soluble in Chlorofrom, Ethyl Acetate, Chlorofrom
Appearance	Pale Yellow Thick Oil
Storage	Store at -20°C, under inert atmosphere