CAS
99471-67-7 Purity
96%
99471-67-7 Purity
96%
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Carboxyterbinafine
CAS
99473-14-0
Catalog Number
ACM99473140
Category
Other Products
Molecular Weight
321.41
Molecular Formula
C21H23NO2
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Specification
Synonyms
(5E)-2,2-DIMETHYL-7-[METHYL(1-NAPHTHALENYLMETHYL)AMINO]-5-HEPTEN-3-YNOIC ACID;CARBOXYBUTYL TERBINAFINE;CARBOXYTERBINAFINE;E-CARBOXYTERBINAFINE;E-Carboxyterbinafine, (5E)-2,2-Dimethyl-7-[methyl(1-naphthalenylmethyl)amino]-5-hepten-3-ynoic Acid;7-[(Methyl)
IUPAC Name
(E)-2,2-dimethyl-7-[methyl(naphthalen-1-ylmethyl)amino]hept-5-en-3-ynoic acid
Canonical SMILES
CC(C)(C#CC=CCN(C)CC1=CC=CC2=CC=CC=C21)C(=O)O
InChI Key
DSPCPJFHUUUMEV-XBXARRHUSA-N
Boiling Point
495.8ºC at 760mmHg
Flash Point
253.6ºC
Density
1.132g/cm³
Appearance
White Solid
Exact Mass
321.17300
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of Carboxyterbinafine?
The molecular formula of Carboxyterbinafine is C21H23NO2.
What is the molecular weight of Carboxyterbinafine?
The molecular weight of Carboxyterbinafine is 321.4 g/mol.
What is the IUPAC name of Carboxyterbinafine?
The IUPAC name of Carboxyterbinafine is (E)-2,2-dimethyl-7-[methyl(naphthalen-1-ylmethyl)amino]hept-5-en-3-ynoic acid.
What is the InChI of Carboxyterbinafine?
The InChI of Carboxyterbinafine is InChI=1S/C21H23NO2/c1-21(2,20(23)24)14-7-4-8-15-22(3)16-18-12-9-11-17-10-5-6-13-19(17)18/h4-6,8-13H,15-16H2,1-3H3,(H,23,24)/b8-4+.
What is the InChIKey of Carboxyterbinafine?
The InChIKey of Carboxyterbinafine is DSPCPJFHUUUMEV-XBXARRHUSA-N.
What is the Canonical SMILES of Carboxyterbinafine?
The Canonical SMILES of Carboxyterbinafine is CC(C)(C#CC=CCN(C)CC1=CC=CC2=CC=CC=C21)C(=O)O.
How many hydrogen bond donor counts does Carboxyterbinafine have?
Carboxyterbinafine has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does Carboxyterbinafine have?
Carboxyterbinafine has 3 hydrogen bond acceptor counts.
Does Carboxyterbinafine have defined bond stereocenter count?
Yes, Carboxyterbinafine has 1 defined bond stereocenter count.
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