Name: 1-[[(6R,7R)-7-Amino-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-1-methylpyrrolidinium Chloride-[d3]
Brand: BOC Sciences
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General Information

Catalog: BLP-006210

CAS: 131857-25-5

Molecular Formula: C13H17D3ClN3O3S

Molecular Weight: 336.85

Chemical Structure

1-[[(6R,7R)-7-Amino-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-1-methylpyrrolidinium Chloride-[d3]

Description	1-[[(6R,7R)-7-Amino-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-1-methylpyrrolidinium Chloride-[d3] is the labelled analogue of 1-[[(6R,7R)-7-Amino-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-1-methylpyrrolidinium Chloride, which is an impurity produced in the synthesis of Cefepime.
Synonyms	1-[[(6R,7R)-7-Amino-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-1-methylpyrrolidinium-d3 Chloride; (6R-trans)1-[(7-amino-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)methyl]-1-methyl-Pyrrolidinium Hydroxide Inner Salt Monohydrochloride-d3; USP Cefepime Related Compound E-d3
IUPAC Name	(6R,7R)-7-amino-8-oxo-3-[[1-(trideuteriomethyl)pyrrolidin-1-ium-1-yl]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;hydrochloride
Related CAS	103121-85-3 (unlabelled)
Canonical SMILES	C[N+]1(CCCC1)CC2=C(N3C(C(C3=O)N)SC2)C(=O)[O-].Cl
InChI	InChI=1S/C13H19N3O3S.ClH/c1-16(4-2-3-5-16)6-8-7-20-12-9(14)11(17)15(12)10(8)13(18)19;/h9,12H,2-7,14H2,1H3;1H/t9-,12-;/m1./s1/i1D3;
InChI Key	UVKYDOZUOXJZSR-KUDVEPGFSA-N
Purity	≥95%
Solubility	Soluble in DMSO, Water
Appearance	Yellow Solid
Storage	Store at -20°C under inert atmosphere