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Substance Name: beta-Saxitoxinol hemisuccinate
RN: 80797-03-1
InChIKey: HDIFGFFXHQPZAW-ZMJUCULPSA-N

Molecular Formula

  • C14-H21-N7-O6

Molecular Weight

  • 383.3629
 
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Names and Synonyms

Results Name

  • beta-Saxitoxinol hemisuccinate

Synonym

  • beta-Saxitoxinol hemisuccinate

Systematic Name

  • Butanedioic acid, mono(2,6-diamino-4-(((aminocarbonyl)oxy)methyl)-3a,4,9,10-tetrahydro-1H,8H-pyrrolo(1,2-c)purin-10-yl) ester, (3aS-(3aalpha,4alpha,10alpha,10aR*))-

Registry Numbers

CAS Registry Number

  • 80797-03-1

System Generated Number

  • 0080797031

Structure Descriptors

InChI

1S/C14H21N7O6/c15-11-19-10-6(5-26-13(17)25)18-12(16)21-4-3-7(14(10,21)20-11)27-9(24)2-1-8(22)23/h6-7,10H,1-5H2,(H2,16,18)(H2,17,25)(H,22,23)(H3,15,19,20)/t6-,7-,10-,14?/m0/s1

InChIKey

HDIFGFFXHQPZAW-ZMJUCULPSA-N

Smiles

NC(=O)OC[C@@H]1N=C(N)N2CC[C@H](OC(=O)CCC(=O)O)C23NC(=N[C@@H]13)N