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Substance Name: SQ 31486
RN: 107967-38-4
InChIKey: YURDPZFQEFWDOK-IKGOIYPNSA-N

Molecular Formula

  • C24-H27-F3-N2-O4.Cl-H

Molecular Weight

  • 500.942
 
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Names and Synonyms

Name of Substance

  • SQ 31486

Synonyms

  • cis-(+)-3-(Acetyloxy)-1-(2-(dimethylamino)ethyl)-1,3,4,5-tetrahydro-4-(4-methoxyphenyl)-7-(trifluoromethyl)-2H-1-benzazepin-2-one monohydrochloride
  • SQ 31,486

Systematic Name

  • 2H-1-Benzazepin-2-one, 3-(acetyloxy)-1-(2-(dimethylamino)ethyl)-1,3,4,5-tetrahydro-4-(4-methoxyphenyl)-7-(trifluoromethyl)-, monohydrochloride, cis-(+)-

Registry Numbers

CAS Registry Number

  • 107967-38-4

System Generated Number

  • 0107967384

Molecular Formulas

Molecular Formula

  • C24-H27-F3-N2-O4.Cl-H

Molecular Formula Fragments

  • C24-H27-F3-N2-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C24H27F3N2O4.ClH/c1-15(30)33-22-20(16-5-8-19(32-4)9-6-16)14-17-13-18(24(25,26)27)7-10-21(17)29(23(22)31)12-11-28(2)3;/h5-10,13,20,22H,11-12,14H2,1-4H3;1H/t20-,22+;/m0./s1

InChIKey

YURDPZFQEFWDOK-IKGOIYPNSA-N

Smiles

N1(C([C@@H]([C@@H](Cc2c1ccc(c2)C(F)(F)F)c1ccc(cc1)OC)OC(=O)C)=O)CCN(C)C.Cl