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N-Desmethylcarboxy Terbinafine Methyl Ester-[d7]

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General Information
Catalog: BLP-004978
CAS: 1185245-14-0
Molecular Formula: C21H16D7NO2
Molecular Weight: 328.46

Chemical Structure

Description	N-Desmethylcarboxy Terbinafine Methyl Ester-[d7] is the labelled analogue of N-Desmethylcarboxy Terbinafine Methyl Ester, which is a metabolite of Terbinafine. Terbinafine is an antifungal drug used to treat pityriasis versicolor, fungal nail infections and ringworm including jock itch and athlete's foot.
Synonyms	N-Desmethylcarboxy Terbinafine-d7 Methyl Ester; (5E)-(2,2-Dimethyl-7-[(1-naphthalenyl-d7-methyl)amino]-5-hepten-3-ynoic Acid Methyl Ester
IUPAC Name	methyl (E)-7-[(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)methylamino]-2,2-dimethylhept-5-en-3-ynoate
Related CAS	1798428-57-5 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C2C(=C(C(=C(C2=C1[2H])[2H])[2H])[2H])CNC/C=C/C#CC(C)(C)C(=O)OC)[2H])[2H]
Canonical SMILES	CC(C)(C#CC=CCNCC1=CC=CC2=CC=CC=C21)C(=O)OC
InChI	InChI=1S/C21H23NO2/c1-21(2,20(23)24-3)14-7-4-8-15-22-16-18-12-9-11-17-10-5-6-13-19(17)18/h4-6,8-13,22H,15-16H2,1-3H3/b8-4+/i5D,6D,9D,10D,11D,12D,13D
InChI Key	PCCGSUPPZURIDM-YPEAPPCBSA-N
Purity	≥98%
Solubility	Soluble in Chloroform, Dichloromethane, DMF, Ethanol, Ethyl Acetate, Methanol
Appearance	Light Yellow Oily Matter
Storage	Store at -20°C