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Substance Name: Berotralstat [USAN:INN]
RN: 1809010-50-1
UNII: XZA0KB1BDQ
InChIKey: UXNXMBYCBRBRFD-MUUNZHRXSA-N

Note

  • Oral plasma kallikrein inhibitor.

Molecular Formula

  • C30-H26-F4-N6-O

Molecular Weight

  • 562.5684
 

Classification Codes

  • Enzyme Inhibitors
  • Prevention of Angioedema Attacks in Patients with Hereditary Angioedema (HAE)
  • Protease Inhibitors
  • Serine Proteinase Inhibitors
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Names and Synonyms

Results Name

  • Berotralstat [USAN:INN]

Name of Substance

  • Berotralstat
  • Berotralstat [USAN]

Synonyms

  • 1-(3-(Aminomethyl)phenyl)-N-(5-((R)-(3-cyanophenyl)((cyclopropylmethyl)amino)methyl)-2-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
  • 1H-pyrazole-5-carboxamide, 1-(3-(aminomethyl)phenyl)-N-(5-((R)-(3-cyanophenyl)((cyclopropylmethyl)
  • 1H-Pyrazole-5-carboxamide, 1-(3-(aminomethyl)phenyl)-N-(5-((R)-(3-cyanophenyl)((cyclopropylmethyl)amino)methyl)-2-fluorophenyl)-3-(trifluoromethyl)-
  • BCX-7353
  • BCX7353
  • Berotralstat
  • Berotralstat [INN]
  • UNII-XZA0KB1BDQ
  • WHO 10907

Registry Numbers

CAS Registry Number

  • 1809010-50-1

FDA UNII

  • XZA0KB1BDQ

System Generated Number

  • 1809010501

Structure Descriptors

InChI

InChI=1S/C30H26F4N6O/c31-24-10-9-22(28(37-17-18-7-8-18)21-5-1-3-19(11-21)15-35)13-25(24)38-29(41)26-14-27(30(32,33)34)39-40(26)23-6-2-4-20(12-23)16-36/h1-6,9-14,18,28,37H,7-8,16-17,36H2,(H,38,41)/t28-/m1/s1

InChIKey

UXNXMBYCBRBRFD-MUUNZHRXSA-N

Smiles

NCc1cccc(c1)n2nc(cc2C(=O)Nc3cc(ccc3F)[C@H](NCC4CC4)c5cccc(c5)C#N)C(F)(F)F