Carboprost tromethamine
HIT212659597
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HIT ID: HIT212659597
Cas No: 58551-69-2
分子式: C25H47NO8
分子量: 489.65
常用名: Carboprost tromethamine
氢键受体数 (HBA): 5
氢键供体数 (HBD): 4
LogP: 2.8916311
IUPAC: (5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxy-3-methyloct-1-en-1-yl]cyclopentyl]hept-5-enoic acid; 2-amino-2-(hydroxymethyl)propane-1,3-diol
IUPAC: (5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxy-3-methyloct-1-en-1-yl]cyclopentyl]hept-5-enoic acid; 2-amino-2-(hydroxymethyl)propane-1,3-diol
SMILES: NC(CO)(CO)CO.CCCCC[C@](C)(O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
SMILES: NC(CO)(CO)CO.CCCCC[C@](C)(O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
InChI key: UMMADZJLZAPZAW-XOWPVRJPSA-N
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