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Substance Name: Burapitant [INN]
RN: 537034-22-3
UNII: E35SK332MS
InChIKey: ZLNYUCXXSDDIFU-LJAQVGFWSA-N

Note

  • SSR-240600 is the (R)-isomer.

Molecular Formula

  • C31-H35-Cl2-F6-N3-O3

Molecular Weight

  • 682.5295
 
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Names and Synonyms

Name of Substance

  • 2-(1-(2-(4-(2-(3,5-Bis(trifluoromethyl)phenyl)acetyl)-2-(3,4-dichlorophenyl)-2-morpholinyl)ethyl)-4-piperidinyl)-2-methylpropanamide
  • Burapitant [INN]

Synonyms

  • (R)-2-(1-(2-(4-(2-(3,5-bis(trifluoromethyl)phenyl)acetyl)-2-(3,4-dichlorophenyl)-2-morpholinyl)ethyl)-4-piperidinyl)-2-methylpropanamide
  • Burapitant
  • SSR 240600
  • SSR240600
  • UNII-E35SK332MS

Registry Numbers

CAS Registry Number

  • 537034-22-3

FDA UNII

  • E35SK332MS

System Generated Number

  • 0537034223

Structure Descriptors

InChI

1S/C31H35Cl2F6N3O3/c1-28(2,27(40)44)20-5-8-41(9-6-20)10-7-29(21-3-4-24(32)25(33)17-21)18-42(11-12-45-29)26(43)15-19-13-22(30(34,35)36)16-23(14-19)31(37,38)39/h3-4,13-14,16-17,20H,5-12,15,18H2,1-2H3,(H2,40,44)/t29-/m0/s1

InChIKey

ZLNYUCXXSDDIFU-LJAQVGFWSA-N

Smiles

CC(C)(C1CCN(CC[C@]2(CN(CCO2)C(=O)Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)c4ccc(Cl)c(Cl)c4)CC1)C(=O)N