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Substance Name: Surugatoxin
RN: 40957-92-4
UNII: TC4003XY6D
InChIKey: BYUCWVNHAZPTMA-CRUFWYLASA-N

Note

  • Marine toxin isolated from japanese ivory shell, Babylonia japonica.

Molecular Formula

  • C25-H26-Br-N5-O13

Molecular Weight

  • 684.4064
 
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Names and Synonyms

Name of Substance

  • Surugatoxin

Synonyms

  • NSC 254240
  • UNII-TC4003XY6D

Systematic Name

  • D-myo-Inositol, 4-(6-bromo-1,1',2,2',3',4',5',6',6'a,7',9',10'-dodecahydro-6'a,9'-dihydroxy-9'-methyl-1',2,3',10'-tetraoxospiro(3H-indole-3,8'-(8H)pyrido(1,2-f)pteridine)-7'-carboxylate), (6'aS-(6'aalpha,7'alpha,8'alpha,9'alpha))-

Registry Numbers

CAS Registry Number

  • 40957-92-4

FDA UNII

  • TC4003XY6D

System Generated Number

  • 0040957924

Structure Descriptors

InChI

1S/C25H26BrN5O13/c1-23(42)21(40)31-9-17(29-22(41)30-18(9)37)27-5-24(31,43)16(25(23)7-3-2-6(26)4-8(7)28-20(25)39)19(38)44-15-13(35)11(33)10(32)12(34)14(15)36/h2-4,10-16,32-36,42-43H,5H2,1H3,(H,28,39)(H3,27,29,30,37,41)/t10-,11-,12-,13+,14-,15-,16-,23+,24+,25+/m1/s1

InChIKey

BYUCWVNHAZPTMA-CRUFWYLASA-N

Smiles

C[C@]1(O)C(=O)N2C3=C(NC[C@]2(O)[C@@H](C(=O)O[C@H]4[C@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@@H]4O)[C@@]15C(=O)Nc6cc(Br)ccc56)NC(=O)NC3=O