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Substance Name: 11-Hydroxysaxitoxin sulfate
RN: 68107-90-4
InChIKey: OJGSTYDPCUYWRU-UHFFFAOYSA-N

Molecular Weight

  • 515.5451
 
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Names and Synonyms

Results Name

  • 11-Hydroxysaxitoxin sulfate

Synonyms

  • 11-Hydroxysaxitoxin sulphate
  • 2,6-Diamino-4-(((aminocarvonyl)oxy)methyl)-3a,4,8,9-tetrahydro-1H,10H-pyrrolo(1,2-c)purine-9,10,10-triol 9-(hydrogen sulfate)

Systematic Name

  • 1H,10H-Pyrrolo(1,2-c)purine-9,10,10-triol, 2,6-diamino-4-(((aminocarvonyl)oxy)methyl)-3a,4,8,9-tetrahydro-, 9-(hydrogen sulfate)

Registry Numbers

CAS Registry Number

  • 68107-90-4

System Generated Number

  • 0068107904

Structure Descriptors

InChI

1S/C19H29N7O8S/c1-8(2)10-5-4-9(3)14(27)17(10,22)33-7-11-13-18(25-15(20)24-13)19(28,29)12(34-35(30,31)32)6-26(18)16(21)23-11/h4,10-13,28-29H,1,5-7,22H2,2-3H3,(H2,21,23)(H3,20,24,25)(H,30,31,32)

InChIKey

OJGSTYDPCUYWRU-UHFFFAOYSA-N

Smiles

CC1=CCC(C(C1=O)(N)OCC2C3C4(C(C(CN4C(=N2)N)OS(=O)(=O)O)(O)O)NC(=N3)N)C(=C)C