API0232232
Terconazole
Terbutaline Sulfate is a β2 receptor agonist used for asthma.
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CAS No.
67915-31-5
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Synonyms
terconazole; 67915-31-5; Fungistat
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CHEMBL ID
CHEMBL1306
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Molecule Type
Small molecule
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Compound CID
441383
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Molecular Weight (g/mol)
532.5
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Molecular Formula
C26H31Cl2N5O3
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InChI
InChI=1S/C26H31Cl2N5O3/c1-19(2)31-9-11-32(12-10-31)21-4-6-22(7-5-21)34-14-23-15-35-26(36-23,16-33-18-29-17-30-33)24-8-3-20(27)13-25(24)28/h3-8,13,17-19,23H,9-12,14-16H2,1-2H3/t23-,26-/m0/s1
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InChIKey
BLSQLHNBWJLIBQ-OZXSUGGESA-N
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SMILES
CC(C)N1CCN(CC1)C2=CC=C(C=C2)OC[C@H]3CO[C@](O3)(CN4C=NC=N4)C5=C(C=C(C=C5)Cl)Cl
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IUPAC Name
1-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-4-propan-2-ylpiperazine
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Exact Mass (Da)
531.1803953
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Monoisotopic Mass (Da)
531.1803953
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