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Substance Name: 3-(Acetyloxy)-1,3,4,5-tetrahydro-4-(4-methoxyphenyl)-1-(2-pyrrolidinylmethyl)-6-(trifluoromethyl)-2H-benzazepin-2-one
RN: 128574-17-4
InChIKey: BHXBSUQOVPAYIK-UHFFFAOYSA-N

Molecular Formula

  • C25-H27-F3-N2-O4.Cl-H

Molecular Weight

  • 512.953
 
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Names and Synonyms

Name of Substance

  • 3-(Acetyloxy)-1,3,4,5-tetrahydro-4-(4-methoxyphenyl)-1-(2-pyrrolidinylmethyl)-6-(trifluoromethyl)-2H-benzazepin-2-one

Synonyms

  • 3-(Acetyloxy)-1,3,4,5-tetrahydro-4-(4-methoxyphenyl)-1-(2-pyrrolidinylmethyl)-6-(trifluoromethyl)-2H-1-benzazepin-2-one monohydrochloride, (3R-(1(R*),3alpha,4alpha))-
  • 3-Atmptb

Systematic Name

  • 2H-1-Benzazepin-2-one, 3-(acetyloxy)-1,3,4,5-tetrahydro-4-(4-methoxyphenyl)-1-(2-pyrrolidinylmethyl)-6-(trifluoromethyl)-, monohydrochloride, (3R-(1(R*),3alpha,4alpha))-

Registry Numbers

CAS Registry Number

  • 128574-17-4

System Generated Number

  • 0128574174

Molecular Formulas

Molecular Formula

  • C25-H27-F3-N2-O4.Cl-H

Molecular Formula Fragments

  • C25-H27-F3-N2-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C25H27F3N2O4.ClH/c1-15(31)34-23-19(16-8-10-18(33-2)11-9-16)13-20-21(25(26,27)28)6-3-7-22(20)30(24(23)32)14-17-5-4-12-29-17;/h3,6-11,17,19,23,29H,4-5,12-14H2,1-2H3;1H

InChIKey

BHXBSUQOVPAYIK-UHFFFAOYSA-N

Smiles

N1(C([C@@H]([C@@H](Cc2c1cccc2C(F)(F)F)c1ccc(cc1)OC)OC(=O)C)=O)C[C@@H]1NCCC1.Cl