5-(2-Fluorophenyl)-N-methyl-1-(3-pyridinylsulfonyl)-1H-pyrrole-3-methanamine (2E)-2-butenedioate (1:1)
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5-(2-Fluorophenyl)-N-methyl-1-(3-pyridinylsulfonyl)-1H-pyrrole-3-methanamine (2E)-2-butenedioate (1:1)
structure -
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CAS No:
881681-01-2
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Formula:
C17H16FN3O2S.C4H4O4
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Chemical Name:
5-(2-Fluorophenyl)-N-methyl-1-(3-pyridinylsulfonyl)-1H-pyrrole-3-methanamine (2E)-2-butenedioate (1:1)
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Synonyms:
1H-Pyrrole-3-methanamine,5-(2-fluorophenyl)-N-methyl-1-(3-pyridinylsulfonyl)-,(2E)-2-butenedioate (1:1);5-(2-Fluorophenyl)-N-methyl-1-(3-pyridinylsulfonyl)-1H-pyrrole-3-methanamine (2E)-2-butenedioate (1:1);TAK 438 monofumarate;TAK 438;Vocinti;Takecab;Vonoprazan fumarate;1260141-27-2
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CAS No:
5-(2-Fluorophenyl)-N-methyl-1-(3-pyridinylsulfonyl)-1H-pyrrole-3-methanamine (2E)-2-butenedioate (1:1) Basic Attributes
461.4634032
461.105682
1592732-453-0
4QW3X4AMLB
Safety Information
|Warning|H228 (100%): Flammable solid [Danger Flammable solids]|P210, P235+P410, P240, P241, P264, P270, P280, P301+P312, P330, P370+P378, P407, P413, P420, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:461.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:7
Exact Mass:461.10568470
Monoisotopic Mass:461.10568470
Topological Polar Surface Area:147
Heavy Atom Count:32
Complexity:629
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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5-(2-Fluorophenyl)-N-methyl-1-(3-pyridinylsulfonyl)-1H-pyrrole-3-methanamine (2E)-2-butenedioate (1:1)
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