Beschreibung Sulfobetaine-14 · CAS 14933-09-6 · C19H41NO3S. UNII U88XSY3J2L. Identifikation CAS-Nummer14933-09-6PubChem CID84705SummenformelC19H41NO3SIUPAC-Name3-[dimethyl(tetradecyl)azaniumyl]propane-1-sulfonateUNII (FDA)U88XSY3J2L Berechnete Deskriptoren Molecular Weight363.6XLogP36.1Hydrogen Bond Donor Count0Hydrogen Bond Acceptor…
Beschreibung 2-Naphthylacetat · CAS 1523-11-1 · C12H10O2. Identifikation CAS-Nummer1523-11-1PubChem CID73709SummenformelC12H10O2IUPAC-Namenaphthalen-2-yl acetate Berechnete Deskriptoren Molecular Weight186.21XLogP32.7Hydrogen Bond Donor Count0Hydrogen Bond Acceptor Count2Rotatable Bond…
Beschreibung Magenta-GlcA-Cyclohexylammoniumsalz · CAS 144110-43-0 · C20H26BrClN2O7. Identifikation CAS-Nummer144110-43-0PubChem CID2733774SummenformelC20H26BrClN2O7IUPAC-Name(2S,3S,4S,5R,6S)-6-[(5-bromo-6-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;cyclohexanamine Berechnete Deskriptoren Molecular Weight521.8Hydrogen Bond Donor Count6Hydrogen Bond Acceptor Count8Rotatable Bond…
Beschreibung Zinkdiethyldithiocarbamat · CAS 14324-55-1 · C10H20N2S4Zn. UNII ICW4708Z8G. Melting Point: 172-176 °C; Density: 1.47 at 20 °C/20 °C. Identifikation CAS-Nummer14324-55-1PubChem CID26633SummenformelC10H20N2S4ZnIUPAC-Namezinc…
Beschreibung Eisen(III)-diethyldithiocarbamat · CAS 13963-59-2 · C15H30FeN3S6. UNII 5Q2Y3B3BSF. Identifikation CAS-Nummer13963-59-2PubChem CID84123SummenformelC15H30FeN3S6IUPAC-Nametris(N,N-diethylcarbamodithioate);iron(3+)UNII (FDA)5Q2Y3B3BSF Berechnete Deskriptoren Molecular Weight500.7Hydrogen Bond Donor Count0Hydrogen Bond Acceptor…
Beschreibung Sulfobetaine-18 · CAS 13177-41-8 · C23H49NO3S. UNII 4NE23A2MJR. Identifikation CAS-Nummer13177-41-8PubChem CID83205SummenformelC23H49NO3SIUPAC-Name3-[dimethyl(octadecyl)azaniumyl]propane-1-sulfonateUNII (FDA)4NE23A2MJR Berechnete Deskriptoren Molecular Weight419.7XLogP38.3Hydrogen Bond Donor Count0Hydrogen Bond Acceptor…
Beschreibung MQAE cation · CAS 124505-60-8 · C14H16NO3+. Identifikation CAS-Nummer124505-60-8PubChem CID130205SummenformelC14H16NO3+IUPAC-Nameethyl 2-(6-methoxyquinolin-1-ium-1-yl)acetate Berechnete Deskriptoren Molecular Weight246.28XLogP32.7Hydrogen Bond Donor Count0Hydrogen Bond Acceptor Count3Rotatable…
Beschreibung Xanthin-Natriumsalz · CAS 1196-43-6 · C5H3N4NaO2. Identifikation CAS-Nummer1196-43-6PubChem CID14403145SummenformelC5H3N4NaO2IUPAC-Namesodium 3H-purin-7-ide-2,6-dione Berechnete Deskriptoren Molecular Weight174.09Hydrogen Bond Donor Count2Hydrogen Bond Acceptor Count4Rotatable Bond…
Beschreibung NADP-Natriumsalz · CAS 1184-16-3 · C21H27N7NaO17P3. UNII NR2O7P57YA. Identifikation CAS-Nummer1184-16-3PubChem CID5702267SummenformelC21H27N7NaO17P3IUPAC-Namesodium [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[[[[(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] hydrogen phosphateUNII (FDA)NR2O7P57YA Berechnete Deskriptoren Molecular Weight765.4Hydrogen Bond Donor…
Beschreibung MOPS-Heminatriumsalz · CAS 117961-20-3 · C14H29N2NaO8S2. Identifikation CAS-Nummer117961-20-3PubChem CID23702141SummenformelC14H29N2NaO8S2IUPAC-Namesodium;3-morpholin-4-ylpropane-1-sulfonate;3-morpholin-4-ylpropane-1-sulfonic acid Berechnete Deskriptoren Molecular Weight440.5Hydrogen Bond Donor Count1Hydrogen Bond Acceptor Count10Rotatable Bond…
Beschreibung MBTH · CAS 1128-67-2 · C8H9N3S. UNII NS00023662. Identifikation CAS-Nummer1128-67-2PubChem CID14319SummenformelC8H9N3SIUPAC-Name(3-methyl-1,3-benzothiazol-2-ylidene)hydrazineUNII (FDA)NS00023662 Berechnete Deskriptoren Molecular Weight179.24XLogP31.9Hydrogen Bond Donor Count1Hydrogen Bond Acceptor…
Beschreibung CAPS-Natriumsalz · CAS 105140-23-6 · C9H18NNaO3S. Identifikation CAS-Nummer105140-23-6PubChem CID23666801SummenformelC9H18NNaO3SIUPAC-Namesodium 3-(cyclohexylamino)propane-1-sulfonate Berechnete Deskriptoren Molecular Weight243.30Hydrogen Bond Donor Count1Hydrogen Bond Acceptor Count4Rotatable Bond…
Beschreibung DIPSO-Natriumsalz · CAS 102783-62-0 · C7H16NNaO6S. Identifikation CAS-Nummer102783-62-0PubChem CID23667518SummenformelC7H16NNaO6SIUPAC-Namesodium 3-[bis(2-hydroxyethyl)amino]-2-hydroxypropane-1-sulfonate Berechnete Deskriptoren Molecular Weight265.26Hydrogen Bond Donor Count3Hydrogen Bond Acceptor Count7Rotatable Bond…
Beschreibung CAPSO-Natriumsalz · CAS 102601-34-3 · C9H12NO4S-. Identifikation CAS-Nummer102601-34-3PubChem CID7364887SummenformelC9H12NO4S-IUPAC-Name(2S)-3-anilino-2-hydroxypropane-1-sulfonate Berechnete Deskriptoren Molecular Weight230.26XLogP30.1Hydrogen Bond Donor Count2Hydrogen Bond Acceptor Count5Rotatable Bond Count4Exact…
Beschreibung AMPSO-Natriumsalz · CAS 102029-60-7 · C7H16NNaO5S. Identifikation CAS-Nummer102029-60-7PubChem CID44119996SummenformelC7H16NNaO5SIUPAC-Namesodium 2-hydroxy-3-[(1-hydroxy-2-methylpropan-2-yl)amino]propane-1-sulfonate Berechnete Deskriptoren Molecular Weight249.26Hydrogen Bond Donor Count3Hydrogen Bond Acceptor Count6Rotatable Bond…
Beschreibung Ensitrelvir Intermediate (Pyrrolidinepropanamide Hydrochloride) · CAS 2628280-48-6 · C7H14ClN3O2. UNII LPM7GSN5KN. Identifikation CAS-Nummer2628280-48-6PubChem CID162368212SummenformelC7H14ClN3O2IUPAC-Name(2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanamide;hydrochlorideUNII (FDA)LPM7GSN5KN Berechnete Deskriptoren Molecular Weight207.66Hydrogen Bond Donor…
Beschreibung Ensitrelvir Intermediate (Trifluoroacetamido) · CAS 2755812-45-2 · C16H23F3N2O4. UNII 6T8DDM3VQ7. Identifikation CAS-Nummer2755812-45-2PubChem CID163226911SummenformelC16H23F3N2O4IUPAC-Name(1R,2S,5S)-3-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acidUNII (FDA)6T8DDM3VQ7 Berechnete Deskriptoren Molecular Weight364.36XLogP32.8Hydrogen Bond Donor…
Beschreibung 2-Methoxy-3-(1-methyl-1H-1,2,4-triazol-3-yl)aniline · CAS 1609394-10-6 · C10H12N4O. UNII 66C4UD75CN. Identifikation CAS-Nummer1609394-10-6PubChem CID90135673SummenformelC10H12N4OIUPAC-Name2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilineUNII (FDA)66C4UD75CN Berechnete Deskriptoren Molecular Weight204.23XLogP31Hydrogen Bond Donor Count1Hydrogen Bond Acceptor…
Beschreibung Methyl 4-(Boc-amino)-2-cyclopentene-1-carboxylate · CAS 168683-02-1 · C12H19NO4. Identifikation CAS-Nummer168683-02-1PubChem CID9964776SummenformelC12H19NO4IUPAC-Namemethyl (1S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-ene-1-carboxylate Berechnete Deskriptoren Molecular Weight241.28XLogP31.6Hydrogen Bond Donor Count1Hydrogen Bond Acceptor Count4Rotatable…
Beschreibung Peramivir Intermediate 2 · CAS 229613-93-8 · C18H30N2O5. Identifikation CAS-Nummer229613-93-8PubChem CID10522092SummenformelC18H30N2O5IUPAC-Namemethyl (3aR,4R,6S,6aS)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pentan-3-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole-6-carboxylate Berechnete Deskriptoren Molecular Weight354.4XLogP32.7Hydrogen Bond Donor Count1Hydrogen Bond Acceptor…
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