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Home > Encyclopedia > 5-(2-Fluorophenyl)-N-methyl-1-(3-pyridinylsulfonyl)-1H-pyrrole-3-methanamine (2E)-2-butenedioate (1:1)

5-(2-Fluorophenyl)-N-methyl-1-(3-pyridinylsulfonyl)-1H-pyrrole-3-methanamine (2E)-2-butenedioate (1:1)

5-(2-Fluorophenyl)-N-methyl-1-(3-pyridinylsulfonyl)-1H-pyrrole-3-methanamine (2E)-2-butenedioate (1:1) structure

5-(2-Fluorophenyl)-N-methyl-1-(3-pyridinylsulfonyl)-1H-pyrrole-3-methanamine (2E)-2-butenedioate (1:1) 

structure
  • CAS No:

    881681-01-2

  • Formula:

    C17H16FN3O2S.C4H4O4

  • Chemical Name:

    5-(2-Fluorophenyl)-N-methyl-1-(3-pyridinylsulfonyl)-1H-pyrrole-3-methanamine (2E)-2-butenedioate (1:1)

  • 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

  • Categories:

    Active Pharmaceutical Ingredients  >  Digestive System Drugs

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

Characteristics

147

3.82910

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.

Drug Information

1-(5-(2-fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl)-N-methylmethanamine

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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