4-[(3S,5R)-5-(3,4,5-trifluorophenyl)morpholin-3-yl]butanoic acid structure
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Common Name | 4-[(3S,5R)-5-(3,4,5-trifluorophenyl)morpholin-3-yl]butanoic acid | ||
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| CAS Number | 1166395-02-3 | Molecular Weight | 303.27700 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C14H16F3NO3 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
| Name | 4-[(3S,5R)-5-(3,4,5-trifluorophenyl)morpholin-3-yl]butanoic acid |
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| Synonym | More Synonyms |
| Molecular Formula | C14H16F3NO3 |
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| Molecular Weight | 303.27700 |
| Exact Mass | 303.10800 |
| PSA | 58.56000 |
| LogP | 2.71710 |
| InChIKey | KBXCLRAAPVNDPA-CABZTGNLSA-N |
| SMILES | O=C(O)CCCC1COCC(c2cc(F)c(F)c(F)c2)N1 |
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4-[(3S,5R)-5-(3... CAS#:1166395-02-3 |
| Literature: Eisai RandD Management Co., Ltd. Patent: EP2226325 A1, 2010 ; Location in patent: Page/Page column 28 ; |
| Precursor 1 | |
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| DownStream 0 | |
| Acetyl-lithocholic acid |
| 4-(1-ethanoyl-10,13-dimethyl-3-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid |
| 4-[(3R,5R,8R,9R,10S,13R,17R)-3-(Acetyloxy)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid |