Introduction:Basic information about CAS 165049-28-5|Diethyl 2-(4-(2-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)et, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Diethyl 2-(4-(2-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzamido)pentanedioate 4-methylbenzenesulfonate |
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| CAS Number | 165049-28-5 | Molecular Weight | 655.719 |
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| Density | / | Boiling Point | / |
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| Molecular Formula | C31H37N5O9S | Melting Point | / |
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| MSDS | / | Flash Point | / |
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Names
| Name | diethyl (2S)-2-[[4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioate,4-methylbenzenesulfonic acid |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Molecular Formula | C31H37N5O9S |
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| Molecular Weight | 655.719 |
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| Exact Mass | 655.231201 |
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| PSA | 232.01000 |
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| LogP | 4.91800 |
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| InChIKey | UANBXQTVHOIGGQ-LMOVPXPDSA-N |
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| SMILES | CCOC(=O)CCC(NC(=O)c1ccc(CCc2c[nH]c3nc(N)[nH]c(=O)c23)cc1)C(=O)OCC.Cc1ccc(S(=O)(=O)O)cc1 |
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Safety Information
Customs
Synonyms
| pemetrexed dimethyl ester |
| N-[4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamic acid 1,5-dimethyl ester 4-methylbenzenesulfonate |
| D-Pemetrexed Dimethyl Diester |
| 5-[2-(4-{[(2S)-1,5-Diethoxy-1,5-dioxo-2-pentanyl]carbamoyl}phenyl)ethyl]-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-2-aminium 4-methylbenzenesulfonate |
| Pemetrexed Methyl Ester |