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Substance Name: Lanepitant dihydrochloride trihydrate
RN: 167678-33-3
UNII: 2Q5BV72CQE
InChIKey: MMXNJDDJYCKAES-BQPUMDETSA-N

Molecular Formula

  • C33-H45-N5-O3.2Cl-H.3H2-O

Molecular Weight

  • 686.7098
 
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Names and Synonyms

Name of Substance

  • Lanepitant dihydrochloride trihydrate

Synonyms

  • (1,4'-Bipiperidine)-1'-acetamide, N-((1R)-2-(acetyl((2-methoxyphenyl)methyl)amino)-1-(1H-indol-3-ylmethyl)ethyl)-, dihydrochloride, trihydrate
  • Lanepitant dihydrochloride trihydrate
  • UNII-2Q5BV72CQE

Registry Numbers

CAS Registry Number

  • 167678-33-3

FDA UNII

  • 2Q5BV72CQE

System Generated Number

  • 0167678333

Structure Descriptors

InChI

1S/C33H45N5O3.2ClH.3H2O/c1-25(39)38(22-26-10-4-7-13-32(26)41-2)23-28(20-27-21-34-31-12-6-5-11-30(27)31)35-33(40)24-36-18-14-29(15-19-36)37-16-8-3-9-17-37;;;;;/h4-7,10-13,21,28-29,34H,3,8-9,14-20,22-24H2,1-2H3,(H,35,40);2*1H;3*1H2/t28-;;;;;/m1...../s1

InChIKey

MMXNJDDJYCKAES-BQPUMDETSA-N

Smiles

O.O.O.Cl.Cl.COc1ccccc1CN(C[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CN4CCC(CC4)N5CCCCC5)C(=O)C