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Substance Name: CJ-15161 benzoate monohydrate
RN: 646041-98-7
UNII: U8Q66FHB1C
InChIKey: ULOWTTTYRLYRPW-VSIGASKDSA-N

Molecular Formula

  • C23-H31-N3-O2.C7-H6-O2.H2-O

Molecular Weight

  • 521.6541
 
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Names and Synonyms

Name of Substance

  • CJ-15161 benzoate monohydrate

Synonyms

  • Benzamide, 4-(((1S)-2-((3S)-3-hydroxy-1-pyrrolidinyl)-1-phenylethyl)methylamino)-N-propyl-, benzoate, hydrate (1:1:1)
  • CJ-15161 benzoate monohydrate
  • UNII-U8Q66FHB1C

Registry Numbers

CAS Registry Number

  • 646041-98-7

FDA UNII

  • U8Q66FHB1C

System Generated Number

  • 0646041987

Structure Descriptors

InChI

InChI=1S/C23H31N3O2.C7H6O2.H2O/c1-3-14-24-23(28)19-9-11-20(12-10-19)25(2)22(18-7-5-4-6-8-18)17-26-15-13-21(27)16-26;8-7(9)6-4-2-1-3-5-6;/h4-12,21-22,27H,3,13-17H2,1-2H3,(H,24,28);1-5H,(H,8,9);1H2/t21-,22+;;/m0../s1

InChIKey

ULOWTTTYRLYRPW-VSIGASKDSA-N

Smiles

O.CCCNC(=O)c1ccc(cc1)N(C)[C@H](CN2CC[C@H](O)C2)c3ccccc3.OC(=O)c4ccccc4