N-Desmethylcarboxy terbinafine

CAS

99473-15-1

Catalog Number

ACM99473151

Category

Other Products

Molecular Weight

307.39

Molecular Formula

C₂₁H₂₃NO₂

MSDS COA Spec Sheet

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Specification

Synonyms

N-DESMETHYL-CARBOXYBUTYL TERBINAFINE;N-DESMETHYLCARBOXY TERBINAFINE;2,2-DIMETHYL-7-[(1-NAPHTHALENYLMETHYL)AMINO]-(5E)-5-HEPTEN-3-YNOIC ACID;(5E)-2,2-Dimethyl-7-[(1-naphthalenylmethyl)amino]-5-hepten-3-ynoic Acid

IUPAC Name

(E)-2,2-dimethyl-7-(naphthalen-1-ylmethylamino)hept-5-en-3-ynoic acid

Canonical SMILES

CC(C)(C#CC=CCNCC1=CC=CC2=CC=CC=C21)C(=O)O

InChI Key

HLMXKUJHRUTHIL-XVNBXDOJSA-N

Boiling Point

518.4ºC at 760mmHg

Melting Point

158-160ºC (dec.)

Flash Point

267.3ºC

Density

1.143g/cm³

Appearance

Yellow Solid

Exact Mass

307.15700

H-Bond Acceptor

H-Bond Donor

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.