Home Carboxys N-Desmethylcarboxy Terbinafine

N-Desmethylcarboxy Terbinafine

CAS No.:
99473-15-1
Catalog Number:
AG006NQE
Molecular Formula:
C20H21NO2
Molecular Weight:
307.3862
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Product Description
Catalog Number:
AG006NQE
Chemical Name:
N-Desmethylcarboxy Terbinafine
CAS Number:
99473-15-1
Molecular Formula:
C20H21NO2
Molecular Weight:
307.3862
MDL Number:
MFCD07369286
IUPAC Name:
(E)-2,2-dimethyl-7-(naphthalen-1-ylmethylamino)hept-5-en-3-ynoic acid
InChI:
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+
InChI Key:
HLMXKUJHRUTHIL-XVNBXDOJSA-N
SMILES:
OC(=O)C(C#C/C=C/CNCc1cccc2c1cccc2)(C)C
Properties
Complexity:
494  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
307.157g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
307.393g/mol
Monoisotopic Mass:
307.157g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties