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Substance Name: Arylazidoatractyloside
RN: 65792-55-4
InChIKey: HDCRSSRRJWRFHZ-UHFFFAOYSA-L

Molecular Weight

  • 1050.2
 
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Names and Synonyms

Name of Substance

  • Arylazidoatractyloside

Synonym

  • N-4-Azido-2-nitrophenylaminobutyryl atractyloside

Systematic Name

  • 19-Norkaur-16-en-18-oic acid, 2-((6-O-(4-((4-azido-2-nitrophenyl)amino)-1-oxobutyl)-2-O-(3-methyl-1-oxobutyl)-3,4-di-O-sulfo-beta-D-glucopyranosyl)oxy)-15-hydroxy-, dipotassium salt, (2beta,4alpha,15alpha)-

Registry Numbers

CAS Registry Number

  • 65792-55-4

System Generated Number

  • 0065792554

Structure Descriptors

InChI

1S/C40H55N5O19S2.2K/c1-20(2)14-32(47)62-35-34(64-66(56,57)58)33(63-65(53,54)55)29(19-59-31(46)6-5-13-42-27-9-8-23(43-44-41)15-28(27)45(51)52)61-38(35)60-24-16-25(37(49)50)26-11-12-40-17-22(21(3)36(40)48)7-10-30(40)39(26,4)18-24;;/h8-9,15,20,22,24-26,29-30,33-36,38,42,48H,3,5-7,10-14,16-19H2,1-2,4H3,(H,49,50)(H,53,54,55)(H,56,57,58);;/q;2*+1/p-2

InChIKey

HDCRSSRRJWRFHZ-UHFFFAOYSA-L

Smiles

[O-]S(O[C@@H]1[C@@H](COC(CCCNc2ccc(N=[N+]=[N-])cc2[N+]([O-])=O)=O)O[C@@H]([C@@H]([C@@H]1OS([O-])(=O)=O)OC(=O)CC(C)C)O[C@@H]1C[C@@]2([C@@H]([C@@H](C1)C(O)=O)CC[C@@]13C[C@@H](CC[C@@H]23)C([C@@H]1O)=C)C)(=O)=O.[K+].[K+]