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Substance Name: 4-Aminobenzenediazonium ouabain
RN: 83859-88-5
InChIKey: WVMAVCNXVWRVOS-VZUQLZRNSA-N

Molecular Formula

  • C35-H48-N3-O10

Molecular Weight

  • 670.7752
 
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Names and Synonyms

Name of Substance

  • 4-Aminobenzenediazonium ouabain

Synonym

  • Abd-ouabain

Systematic Name

  • Benzenediazonium, 4-(2-(((1beta,3beta,5beta,11alpha,14beta)-20,23-epoxy-1,5,11,14,19-tetrahydroxy-23-oxo-24-norchol-20(22)-en-3-yl)oxy)hexahydro-6-hydroxy-7-methyl-1,4-oxazepin-4-yl)-, (2R-(2alpha,6alpha,7beta))-

Registry Numbers

CAS Registry Number

  • 83859-88-5

System Generated Number

  • 0083859885

Structure Descriptors

InChI

1S/C35H48N3O10/c1-19-27(41)15-38(22-5-3-21(37-36)4-6-22)16-30(47-19)48-23-12-28(42)34(18-39)31-25(7-9-33(34,44)13-23)35(45)10-8-24(20-11-29(43)46-17-20)32(35,2)14-26(31)40/h3-6,11,19,23-28,30-31,39-42,44-45H,7-10,12-18H2,1-2H3/q+1/t19-,23?,24?,25+,26+,27+,28+,30-,31+,32+,33-,34+,35-/m0/s1

InChIKey

WVMAVCNXVWRVOS-VZUQLZRNSA-N

Smiles

C[C@@H]1O[C@H](CN(C[C@H]1O)c2ccc(cc2)[N+]#N)OC3C[C@@H](O)[C@]4(CO)[C@H]5[C@H](O)C[C@]6(C)C(CC[C@]6(O)[C@@H]5CC[C@]4(O)C3)C7=CC(=O)OC7