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Substance Name: Azidoiodophenethylamidosuccinylcymarin
RN: 117751-59-4
InChIKey: ROXBGBWUWZTYLZ-UHFFFAOYSA-N

Molecular Formula

  • C42-H55-I-N4-O11

Molecular Weight

  • 918.8135
 
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Names and Synonyms

Name of Substance

  • Azidoiodophenethylamidosuccinylcymarin

Synonyms

  • (3beta,5beta)-3-((4-O-(4-((2-(4-Azido-3-iodophenyl)ethyl)amino)-1,4-dioxobutyl)-2,6-dideoxy-3-O-methyl-beta-D-ribo-hexopyranosyl)oxy)-5,14-dihydroxy-19-oxocard-20(22)-enolide
  • AISC
  • Azido-iodophenethylamido-succinyl-cymarine

Systematic Name

  • Card-20(22)-enolide, 3-((4-O-(4-((2-(4-azido-3-iodophenyl)ethyl)amino)-1,4-dioxobutyl)-2,6-dideoxy-3-O-methyl-beta-D-ribo-hexopyranosyl)oxy)-5,14-dihydroxy-19-oxo-, (3beta,5beta)-

Registry Numbers

CAS Registry Number

  • 117751-59-4

System Generated Number

  • 0117751594

Structure Descriptors

InChI

1S/C42H55IN4O11/c1-24-38(58-35(50)7-6-34(49)45-17-12-25-4-5-32(46-47-44)31(43)18-25)33(54-3)20-37(56-24)57-27-8-14-40(23-48)29-9-13-39(2)28(26-19-36(51)55-22-26)11-16-42(39,53)30(29)10-15-41(40,52)21-27/h4-5,18-19,23-24,27-30,33,37-38,52-53H,6-17,20-22H2,1-3H3,(H,45,49)

InChIKey

ROXBGBWUWZTYLZ-UHFFFAOYSA-N

Smiles

CC1C(C(CC(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)C=O)OC)OC(=O)CCC(=O)NCCc7ccc(c(c7)I)N=[N+]=[N-]