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Substance Name: 3beta-Azidocholyl-2-iodohistamine
RN: 92921-04-5
InChIKey: IFQAUICFVCGLJL-NWDWNXPCSA-N

Note

  • Labeled with (125)I.

Molecular Weight

  • 652.614
 
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Names and Synonyms

Name of Substance

  • 3beta-Azidocholyl-2-iodohistamine

Synonyms

  • AZCH
  • Iodo-3beta-azidocholylhistamine

Systematic Name

  • Cholan-24-amide, 3-azido-7,12-dihydroxy-N-(2-(2-(iodo-125I)-1H-imidazol-4-yl)ethyl)-, (3beta,5beta,7alpha,12alpha)-

Registry Numbers

CAS Registry Number

  • 92921-04-5

System Generated Number

  • 0092921045

Structure Descriptors

InChI

1S/C29H45IN6O3/c1-16(4-7-25(39)32-11-9-19-15-33-27(30)34-19)20-5-6-21-26-22(14-24(38)29(20,21)3)28(2)10-8-18(35-36-31)12-17(28)13-23(26)37/h15-18,20-24,26,37-38H,4-14H2,1-3H3,(H,32,39)(H,33,34)/t16-,17+,18+,20-,21?,22+,23-,24+,26+,28+,29-/m1/s1

InChIKey

IFQAUICFVCGLJL-NWDWNXPCSA-N

Smiles

[N+](=N[C@@H]1C[C@H]2C[C@H]([C@@H]3[C@@H]([C@@]2(C)CC1)C[C@H](O)[C@@]1([C@@H]([C@@H](CCC(=O)NCCc2[nH]c(nc2)I)C)CC[C@@H]31)C)O)=[N-]