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Substance Name: Chaksine monohydrate
RN: 5096-34-4
InChIKey: YTLBAEMJJZJZRH-ZUGPGUARSA-N

Molecular Formula

  • C22-H38-N6-O4.H2-O

Molecular Weight

  • 468.595
 
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Names and Synonyms

Results Name

  • Chaksine monohydrate

Synonym

  • Chaksine monohydrate

Systematic Name

  • 1,9-Dioxacyclohexadecane-2,10-dione, 3,11-bis(2-amino-4,5-dihydro-1H-imidazol-4-yl)-7,15-dimethyl-, monohydrate, (3R-(3R*(R*),7R*,11R*(R*),15R*))-

Registry Numbers

CAS Registry Number

  • 5096-34-4

System Generated Number

  • 0005096344

Molecular Formulas

Molecular Formula

  • C22-H38-N6-O4.H2-O

Molecular Formula Fragments

  • C22-H38-N6-O4
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C22H38N6O4.H2O/c1-13-5-3-7-15(17-9-25-21(23)27-17)20(30)32-12-14(2)6-4-8-16(19(29)31-11-13)18-10-26-22(24)28-18;/h13-18H,3-12H2,1-2H3,(H3,23,25,27)(H3,24,26,28);1H2/t13-,14-,15?,16?,17+,18?;/m1./s1

InChIKey

YTLBAEMJJZJZRH-ZUGPGUARSA-N

Smiles

C[C@@H]1CCCC(C(=O)OC[C@@H](CCCC(C(=O)OC1)[C@@H]2CNC(=N2)N)C)C3CNC(=N3)N.O