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Substance Name: Benzeneacetic acid, alpha-hydroxy-, (alphaR)-, compd. with (2R)-2-(((4-chlorophenyl)methyl)amino)-1-butanol (1:1)
RN: 70218-67-6
InChIKey: XPASIHGEGJNAKE-ODIXNEOGSA-N

Molecular Formula

  • C11-H16-Cl-N-O.C8-H8-O3

Molecular Weight

  • 365.8546
 
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Names and Synonyms

Synonym

  • Benzeneacetic acid, alpha-hydroxy-, (R)-, compd. with (R)-2-(((4-chlorophenyl)methyl)amino)-1-butanol

Systematic Name

  • Benzeneacetic acid, alpha-hydroxy-, (alphaR)-, compd. with (2R)-2-(((4-chlorophenyl)methyl)amino)-1-butanol (1:1)

Registry Numbers

CAS Registry Number

  • 70218-67-6

System Generated Number

  • 0070218676

Molecular Formulas

Molecular Formula

  • C11-H16-Cl-N-O.C8-H8-O3

Molecular Formula Fragments

  • C11-H16-Cl-N-O
  • C8-H8-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C11H16ClNO.C8H8O3/c1-2-11(8-14)13-7-9-3-5-10(12)6-4-9;9-7(8(10)11)6-4-2-1-3-5-6/h3-6,11,13-14H,2,7-8H2,1H3;1-5,7,9H,(H,10,11)/t11-;7-/m11/s1

InChIKey

XPASIHGEGJNAKE-ODIXNEOGSA-N

Smiles

CC[C@H](CO)NCc1ccc(cc1)Cl.c1ccc(cc1)[C@H](C(=O)O)O