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Substance Name: Imbricatine
RN: 105372-70-1
InChIKey: BBIABWPNIDKRLX-ARFHVFGLSA-N

Molecular Formula

  • C24-H26-N4-O7-S

Molecular Weight

  • 514.556
 
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Names and Synonyms

Results Name

  • Imbricatine

Synonyms

  • Imbricatine
  • NSC 622005

Systematic Name

  • 3-Isoquinolinecarboxylic acid, 5-((5-(2-amino-2-carboxyethyl)-1-methyl-1H-imidazol-4-yl)thio)-1,2,3,4-tetrahydro-6,8-dihydroxy-1-((4- hydroxyphenyl)methyl)-, (1R-(1alpha,3alpha,5(S*)))-

Registry Numbers

CAS Registry Number

  • 105372-70-1

System Generated Number

  • 0105372701

Structure Descriptors

InChI

1S/C24H26N4O7S/c1-28-10-26-22(17(28)8-14(25)23(32)33)36-21-13-7-16(24(34)35)27-15(20(13)18(30)9-19(21)31)6-11-2-4-12(29)5-3-11/h2-5,9-10,14-16,27,29-31H,6-8,25H2,1H3,(H,32,33)(H,34,35)/t14-,15+,16+/m0/s1

InChIKey

BBIABWPNIDKRLX-ARFHVFGLSA-N

Smiles

N1[C@@H](c2c(cc(c(c2C[C@@H]1C(=O)O)Sc1ncn(c1C[C@@H](C(=O)O)N)C)O)O)Cc1ccc(cc1)O