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Substance Name: Haloperidol 4-azidobenzoate
RN: 117345-85-4
InChIKey: ZMHKRNQMMRWKIP-UHFFFAOYSA-N

Note

  • Photoaffinity ligand for the D2-dopamine receptor.

Molecular Formula

  • C28-H26-Cl-F-N4-O3

Molecular Weight

  • 520.9894
 
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Names and Synonyms

Name of Substance

  • Haloperidol 4-azidobenzoate

Synonym

  • Azido-haloperidol

Systematic Name

  • Benzoic acid, 4-azido-, 4-(4-chlorophenyl)-1-(4-(4-fluorophenyl)-4-oxobutyl)-4-piperidinyl ester

Registry Numbers

CAS Registry Number

  • 117345-85-4

System Generated Number

  • 0117345854

Structure Descriptors

InChI

InChI=1S/C28H26ClFN4O3/c29-23-9-7-22(8-10-23)28(37-27(36)21-5-13-25(14-6-21)32-33-31)15-18-34(19-16-28)17-1-2-26(35)20-3-11-24(30)12-4-20/h3-14H,1-2,15-19H2

InChIKey

ZMHKRNQMMRWKIP-UHFFFAOYSA-N

Smiles

Fc1ccc(cc1)C(=O)CCCN2CCC(CC2)(OC(=O)c3ccc(cc3)N=N#N)c4ccc(Cl)cc4