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Baquiloprim-[d6]

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General Information
Catalog: BLP-011659
CAS: 1228182-50-0
Molecular Formula: C17H14D6N6
Molecular Weight: 314.42

Chemical Structure

Description	Baquiloprim-[d6] is the labelled analogue of Baquiloprim. Baquiloprim is an antifolate that can be used as an antibacterial.
Synonyms	Baquiloprim-D6; 5-(8-Dimethylamino-D6-7-methylquinolin-5-ylmethyl)-pyrimidine-2,4-diamine
IUPAC Name	5-[[8-[bis(trideuteriomethyl)amino]-7-methylquinolin-5-yl]methyl]pyrimidine-2,4-diamine
Related CAS	102280-35-3 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])N(C1=C2C(=C(C=C1C)CC3=CN=C(N=C3N)N)C=CC=N2)C([2H])([2H])[2H]
Canonical SMILES	CC1=CC(=C2C=CC=NC2=C1N(C)C)CC3=CN=C(N=C3N)N
InChI	InChI=1S/C17H20N6/c1-10-7-11(8-12-9-21-17(19)22-16(12)18)13-5-4-6-20-14(13)15(10)23(2)3/h4-7,9H,8H2,1-3H3,(H4,18,19,21,22)/i2D3,3D3
InChI Key	AIOWJIMWVFWROP-XERRXZQWSA-N
Purity	95% by HPLC; 98% atom D
Solubility	Soluble in DMSO (Slightly), Methanol (Slightly)
Appearance	Light Yellow Solid
Storage	Store at 2-8°C under inert atmosphere