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Substance Name: Fosaprepitant [INN:BAN]
RN: 172673-20-0
UNII: 6L8OF9XRDC
InChIKey: BARDROPHSZEBKC-OITMNORJSA-N

Note

  • A pro-drug form of aprepitant.

Molecular Formula

  • C23-H22-F7-N4-O6-P

Molecular Weight

  • 614.4088
 

Classification Codes

  • Antiemetics
  • Autonomic Agents
  • Central Nervous System Agents
  • Gastrointestinal Agents
  • Neurokinin-1 Antagonists
  • Neurokinin-1 Receptor Antagonists
  • Neurotransmitter Agents
  • Peripheral Nervous System Agents

Names and Synonyms

Name of Substance

  • Fosaprepitant [INN:BAN]

Synonyms

  • Fosaprepitant
  • L 758298
  • L-758,298
  • L-758298
  • UNII-6L8OF9XRDC

Systematic Names

  • Phosphonic acid, (3-(((2R,3S)-2-((1R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)-4-morpholinyl)methyl)-2,5-dihydro-5-oxo-1H-1,2,4-triazol-1-yl)-
  • Phosphonic acid, (3-((2-(1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)-4-morpholinyl)methyl)-2,5-dihydro-5-oxo-1H-1,2,4-triazol-1-yl)-, (2R-(2alpha(R*),3alpha))-

Registry Numbers

CAS Registry Number

  • 172673-20-0

FDA UNII

  • 6L8OF9XRDC

System Generated Number

  • 0172673200

Structure Descriptors

InChI

1S/C23H22F7N4O6P/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)40-20-19(13-2-4-17(24)5-3-13)33(6-7-39-20)11-18-31-21(35)34(32-18)41(36,37)38/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H,31,32,35)(H2,36,37,38)/t12-,19+,20-/m1/s1

InChIKey

BARDROPHSZEBKC-OITMNORJSA-N

Smiles

C[C@@H](O[C@H]1OCCN(CC2=NC(=O)N(N2)P(=O)(O)O)[C@H]1c3ccc(F)cc3)c4cc(cc(c4)C(F)(F)F)C(F)(F)F