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Substance Name: Batefenterol succinate [USAN]
RN: 945905-37-3
UNII: 552KVF22JT
InChIKey: BDWHLFQPZLPCIZ-XLQCLRHOSA-N

Classification Code

  • Treatment of COPD

Molecular Formula

  • C40-H42-Cl-N5-O7.C4-H6-O4

Molecular Weight

  • 858.3402
 
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Names and Synonyms

Name of Substance

  • Batefenterol succinate [USAN]

Synonyms

  • 1-(3-((2-Chloro-4-((((2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethyl)amino)methyl)-5-methoxyphenyl)amino)-3-oxopropyl)piperidin-4-yl (biphenyl-2-yl)carbamate, butanedioate (salt)
  • Batefenterol succinate
  • GSK961081D
  • UNII-552KVF22JT

Systematic Name

  • Butanedioic acid, compd. with 1-(3-((2-chloro-4-((((2R)-2-(1,2-dihydro-8-hydroxy-2-oxo-5-quinolinyl)-2-hydroxyethyl)amino)methyl)-5-methoxyphenyl)amino)-3-oxopropyl)-4-piperidinyl N-(1,1'-biphenyl)-2-ylcarbamate (1:1)

Registry Numbers

CAS Registry Number

  • 945905-37-3

FDA UNII

  • 552KVF22JT

System Generated Number

  • 0945905373

Structure Descriptors

InChI

1S/C40H42ClN5O7.C4H6O4/c1-52-36-22-33(31(41)21-26(36)23-42-24-35(48)29-11-13-34(47)39-30(29)12-14-37(49)45-39)43-38(50)17-20-46-18-15-27(16-19-46)53-40(51)44-32-10-6-5-9-28(32)25-7-3-2-4-8-25;5-3(6)1-2-4(7)8/h2-14,21-22,27,35,42,47-48H,15-20,23-24H2,1H3,(H,43,50)(H,44,51)(H,45,49);1-2H2,(H,5,6)(H,7,8)/t35-;/m0./s1

InChIKey

BDWHLFQPZLPCIZ-XLQCLRHOSA-N

Smiles

COc1cc(c(cc1CNC[C@@H](c2ccc(c3c2ccc(=O)[nH]3)O)O)Cl)NC(=O)CCN4CCC(CC4)OC(=O)Nc5ccccc5c6ccccc6.C(CC(=O)O)C(=O)O