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Substance Name: 4'-Iodococaine
RN: 141120-39-0
InChIKey: BRRFCLVJGYVEQO-LJISPDSOSA-N

Molecular Formula

  • C17-H20-I-N-O4

Molecular Weight

  • 429.248
 
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Names and Synonyms

Results Name

  • 4'-Iodococaine

Synonyms

  • 125I-4'-Iodococaine
  • 4'-Iodococaine
  • Ecgonine 4-iodobenzoate methyl ester

Systematic Name

  • 8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-((4-iodobenzoyl)oxy)-8-methyl-, methyl ester, (1R-(exo,exo))-

Registry Numbers

CAS Registry Number

  • 141120-39-0

System Generated Number

  • 0141120390

Structure Descriptors

InChI

1S/C17H20INO4/c1-19-12-7-8-13(19)15(17(21)22-2)14(9-12)23-16(20)10-3-5-11(18)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13+,14-,15+/m0/s1

InChIKey

BRRFCLVJGYVEQO-LJISPDSOSA-N

Smiles

C1[C@@H]([C@@H]([C@@H]2CC[C@H]1[N@@]2C)C(=O)OC)OC(c1ccc(cc1)I)=O