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Substance Name: 3-O-Acetylmorphine benzoate (salt)
RN: 127786-28-1
InChIKey: HVQZXZISQHHIDZ-YZZSNFJZSA-M

Molecular Formula

  • C19-H21-N-O4.C7-H6-O2

Molecular Weight

  • 448.492
 
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Names and Synonyms

Results Name

  • 3-O-Acetylmorphine benzoate (salt)

Synonyms

  • 3-Acetylmorphine benzoate
  • 3-O-Acetylmorphine benzoate (salt)

Systematic Name

  • Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl-(5alpha,6alpha)-, 3-acetate, benzoate (salt)

Registry Numbers

CAS Registry Number

  • 127786-28-1

System Generated Number

  • 0127786281

Molecular Formulas

Molecular Formula

  • C19-H21-N-O4.C7-H6-O2

Molecular Formula Fragments

  • C19-H21-N-O4
  • C7-H6-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C19H21NO4.C7H6O2/c1-10(21)23-15-6-3-11-9-13-12-4-5-14(22)18-19(12,7-8-20(13)2)16(11)17(15)24-18;8-7(9)6-4-2-1-3-5-6/h3-6,12-14,18,22H,7-9H2,1-2H3;1-5H,(H,8,9)/p-1/t12-,13+,14-,18-,19-;/m0./s1

InChIKey

HVQZXZISQHHIDZ-YZZSNFJZSA-M

Smiles

C(=O)([O-])c1ccccc1.c1(c2c3[C@]45[C@@H]([C@H](C=C[C@H]5[C@H]([N@](CC4)C)Cc3cc1)O)O2)OC(=O)C