N-Desmethylcarboxy terbinafine

CAS
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CAS
99473-15-1
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Purity
96%
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Catalog Number

ACM99473151

Product Name

N-Desmethylcarboxy terbinafine

Structure

CAS

99473-15-1

What is the molecular formula of N-Desmethylcarboxy terbinafine?

The molecular formula of N-Desmethylcarboxy terbinafine is C20H21NO2.

What is the computed IUPAC name of N-Desmethylcarboxy terbinafine?

The computed IUPAC name of N-Desmethylcarboxy terbinafine is (E)-2,2-dimethyl-7-(naphthalen-1-ylmethylamino)hept-5-en-3-ynoic acid.

What is the InChI of N-Desmethylcarboxy terbinafine?

The InChI of N-Desmethylcarboxy terbinafine is InChI=1S/C20H21NO2/c1-20(2,19(22)23)13-6-3-7-14-21-15-17-11-8-10-16-9-4-5-12-18(16)17/h3-5,7-12,21H,14-15H2,1-2H3,(H,22,23)/b7-3+.

What is the InChIKey of N-Desmethylcarboxy terbinafine?

The InChIKey of N-Desmethylcarboxy terbinafine is HLMXKUJHRUTHIL-XVNBXDOJSA-N.

What is the canonical SMILES of N-Desmethylcarboxy terbinafine?

The canonical SMILES of N-Desmethylcarboxy terbinafine is CC(C)(C#CC=CCNCC1=CC=CC2=CC=CC=C21)C(=O)O.

What is the isomeric SMILES of N-Desmethylcarboxy terbinafine?

The isomeric SMILES of N-Desmethylcarboxy terbinafine is CC(C)(C#C/C=C/CNCC1=CC=CC2=CC=CC=C21)C(=O)O.

What is the CAS number of N-Desmethylcarboxy terbinafine?

The CAS number of N-Desmethylcarboxy terbinafine is 99473-15-1.

What is the molecular weight of N-Desmethylcarboxy terbinafine?

The molecular weight of N-Desmethylcarboxy terbinafine is 307.4 g/mol.

How many hydrogen bond donor counts does N-Desmethylcarboxy terbinafine have?

N-Desmethylcarboxy terbinafine has 2 hydrogen bond donor counts.

How many rotatable bond counts does N-Desmethylcarboxy terbinafine have?

N-Desmethylcarboxy terbinafine has 6 rotatable bond counts.

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