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Substance Name: 4-Bromo-A-23187
RN: 76455-48-6
InChIKey: LDXQFZZGVTWFCF-DWUXPROESA-N

Note

  • Ionophore with enhanced calcium ion transport specificity.

Molecular Weight

  • 602.522
 
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Names and Synonyms

Name of Substance

  • 4-Bromo-A-23187

Synonyms

  • 4-Br-A23187
  • 4-Bra23187

Systematic Names

  • 4-Benzoxazolecarboxylic acid, 6-bromo-5-(methylamino)-2-(((2S,3S,6S,8S,9R,11R)-3,9,11-trimethyl-8-((1S)-1-methyl-2-oxo-2-(1H-pyrrol-2-yl)ethyl)-1,7-dioxaspiro(5.5)undec-2-yl)methyl)-
  • 4-Benzoxazolecarboxylic acid, 6-bromo-5-(methylamino)-2-((3,9,11-trimethyl-8-(1-methyl-2-oxo-2-(1H-pyrrol-2-yl)ethyl)-1,7-dioxaspiro(5.5)undec-2-yl)methyl)-, (6S-(6alpha(2S*,3S*),8beta(R*),9beta,11alpha))-

Registry Numbers

CAS Registry Number

  • 76455-48-6

System Generated Number

  • 0076455486

Structure Descriptors

InChI

1S/C29H36BrN3O6/c1-14-8-9-29(16(3)11-15(2)27(39-29)17(4)26(34)19-7-6-10-32-19)38-20(14)13-22-33-25-21(37-22)12-18(30)24(31-5)23(25)28(35)36/h6-7,10,12,14-17,20,27,31-32H,8-9,11,13H2,1-5H3,(H,35,36)/t14-,15-,16-,17-,20-,27+,29?/m1/s1

InChIKey

LDXQFZZGVTWFCF-DWUXPROESA-N

Smiles

o1c(nc2c1cc(c(c2C(=O)O)NC)Br)C[C@H]1O[C@@]2(CC[C@H]1C)O[C@@H]([C@@H](C[C@H]2C)C)[C@@H](C(c1[nH]ccc1)=O)C