Arasertaconazole mononitrate
1-[(2R)-2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid
Molecular Identity
Arasertaconazole mononitrate
1-[(2R)-2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid
PubChem CID: 9806019
Arasertaconazole nitrate is an organic nitrate salt obtained by reaction of equimolar amounts of arasertaconazole and nitric acid. The active R-enantiomer of sertaconazole nitrate that is used for treatment of vulvovaginal candidiasis. The racemate itself is also used as a broad-spectrum antifungal drug. It is an organic nitrate salt, an imidazole antifungal drug and a conazole antifungal drug. It contains an arasertaconazole(1+). It is an enantiomer of a (S)-sertaconazole nitrate.
2D Structure
Properties
C20H16Cl3N3O4S
Molecular Formula
500.80
Molecular Weight
g/mol
498.9927
Exact Mass
Da
121
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
6
H-Bond Acceptors
513
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC2=C(C(=C1)Cl)SC=C2COC(CN3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl.[N+](=O)(O)[O-]Isomeric SMILES
SMILES: C1=CC2=C(C(=C1)Cl)SC=C2CO[C@@H](CN3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl.[N+](=O)(O)[O-]Synonyms(16)
arasertaconazole nitratearasertaconazole mononitrateDXL8FD2HFTSertaconazole nitrate, (R)-UNII-DXL8FD2HFT1H-Imidazole, 1-((2R)-2-((7-chlorobenzo(b)thien-3-yl)methoxy)-2-(2,4-dichlorophenyl)ethyl)-, mononitrate1H-Imidazole, 1-((2R)-2-((7-chlorobenzo(b)thien-3-yl)methoxy)-2-(2,4-dichlorophenyl)ethyl)-, nitrate (1:1)583057-49-21-[(2R)-2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acidSCHEMBL4666243SCHEMBL29409442CHEBI:83692HAAITRDZHUANGT-FYZYNONXSA-NQ27157107(R)-(-)-1-[2-(7-chlorobenzo[b]thiophen-3-yl-methoxy)-2-(2,4-dichlorophenyl)-ethyl]-1H-imidazole mononitrate
Data from PubChem (NCBI)
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