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Substance Name: CCAHNA
RN: 158721-72-3
InChIKey: OQNBAZVKHTXXAL-KNSFRLQUSA-M

Molecular Formula

  • C38-H53-N-O9-S2.Na

Molecular Weight

  • 753.9488
 
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Names and Synonyms

Results Name

  • CCAHNA

Name of Substance

  • 4-(((3-Cholesteryloxy)carbonyl)amino)-5-hydroxy-2,7-naphthalenedisulfonic acid

Synonym

  • CCAHNA

Systematic Name

  • Cholest-5-en-3-ol (3beta)-, (8-hydroxy-3,6-disulfo-1-naphthalenyl)carbamate, monosodium salt

Registry Numbers

CAS Registry Number

  • 158721-72-3

System Generated Number

  • 0158721723

Molecular Formulas

Molecular Formula

  • C38-H53-N-O9-S2.Na

Molecular Formula Fragments

  • C38-H53-N-O9-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C38H53NO9S2.Na/c1-22(2)7-6-8-23(3)30-11-12-31-29-10-9-25-19-26(13-15-37(25,4)32(29)14-16-38(30,31)5)48-36(41)39-33-20-27(49(42,43)44)17-24-18-28(50(45,46)47)21-34(40)35(24)33;/h9,17-18,20-23,26,29-32,40H,6-8,10-16,19H2,1-5H3,(H,39,41)(H,42,43,44)(H,45,46,47);/q;+1/p-1/t23-,26+,29?,30-,31?,32?,37+,38-;/m1./s1

InChIKey

OQNBAZVKHTXXAL-KNSFRLQUSA-M

Smiles

C[C@H](CCCC(C)C)[C@H]1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)Nc5cc(cc6c5c(cc(c6)S(=O)(=O)[O-])O)S(=O)(=O)O)C)C.[Na+]