Chemical Properties of Clemizole, hydroxy-oxo, acetylated

Clemizole, hydroxy-oxo, acetylated

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InChI
InChI=1S/C21H20ClN3O3/c1-14(26)28-17-8-9-19-18(12-17)23-20(21(27)24-10-2-3-11-24)25(19)13-15-4-6-16(22)7-5-15/h4-9,12H,2-3,10-11,13H2,1H3
InChI Key
MDKMMDNRYLEISR-UHFFFAOYSA-N
Formula
C21H20ClN3O3
SMILES
CC(=O)Oc1ccc2c(c1)nc(C(=O)N1CCCC1)n2Cc1ccc(Cl)cc1
Molecular Weight1
397.86
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Physical Properties

Property Value Unit Source
log10WS -6.48 Crippen Calculated Property
logPoct/wat 3.899 Crippen Calculated Property
McVol 284.400 ml/mol McGowan Calculated Property
Inp 3120.00 NIST

Similar Compounds

Clemizole M (hydroxy-methoxy-oxo), acetylated. Clemizole, oxo. xanthosine-5'-monophosphate, TMS. 9H-purine-6(1h)-thione, 9-beta-d-ribofuranosyl-, 2',3'-diacetate, 5'-bis(3,5-dimethylphenyl)phosphate. Quinine, trimethylsilyl ether. Hypoxanthine-7-ethanol, 2,3-dihydro-3-(diphenylmethyl)-, acetate. Tetrabenazine M (desmethyl-HO-), monoacetylated. inosine-5'-monophosphate, TMS. ethyl eburnamenine-14-carboxylate. N6-TFA-2'-Deoxyadenosine, 3'-O-TBDMS, 5'-O-TFA. N6-TFA-2'-Deoxyadenosine, 3'-O-TFA, 5'-O-TBDMS. xanthosine, TMS. Acetylsenecivernine. QUINIDINE, M(HO-), AC. 9H-Purine, 9-[2-deoxy-3-O-(trimethylsilyl)-«beta»-D-erythro-pentofuranosyl]-6-(trimethylsiloxy)-2-[(trimethylsilyl)amino]-, 5'-[bis(trimethylsilyl) phospate].

Find more compounds similar to Clemizole, hydroxy-oxo, acetylated.

Sources

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