Chemical Compound

(1S,5R,6R,7S,9S,11R,12S,13S,14S)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.17,11.01,6]tetradec-3-ene-5,9,12,13,14-pentol;2-hydroxypropane-1,2,3-tricarboxylic acid

CAS Registry Number 18660-81-6
(1S,5R,6R,7S,9S,11R,12S,13S,14S)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.17,11.01,6]tetradec-3-ene-5,9,12,13,14-pentol;2-hydroxypropane-1,2,3-tricarboxylic acid 结构式
Primary record

(1S,5R,6R,7S,9S,11R,12S,13S,14S)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.17,11.01,6]tetradec-3-ene-5,9,12,13,14-pentol;2-hydroxypropane-1,2,3-tricarboxylic acid

库存
7,835 克
纯度
99.4 %
CAS
18660-81-6

化合物标识与属性

CAS
18660-81-6
PubChem CID
54592378
SMILES
C(C(=O)O)C(CC(=O)O)(C(=O)O)O.C([C@@]1([C@@H]2[C@@H]3[C@H](N=C(N[C@]34[C@@H]([C@H]1O[C@]([C@H]4O)(O2)O)O)N)O)O)O
Canonical SMILES
NC1=N[C@H](O)[C@H]2[C@@H]3O[C@]4(O)O[C@H]([C@@H](O)[C@]2(N1)[C@@H]4O)[C@]3(O)CO.O=C(O)CC(O)(CC(=O)O)C(=O)O

名称与同义词

  • Tetrodotoxin citrate
  • TTx citrate
  • Fugu Toxin
  • Citrato de tetrodotoxina
  • Tetrodotoxin, citrate (1:1) (salt)
  • YUJWMDOXROTQCW-WNGAXIQVSA-N
  • C11H17N3O8.xC6H8O7
  • Citrato de tetrodotoxina [Spanish]
  • 4120AH
  • HB1035
  • FT64082
  • 18660-81-6
  • C11-H17-N3-O8.x-C6-H8-O7
  • 368T289
  • (1S,5R,6R,7S,9S,11R,12S,13S,14S)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.17,11.01,6]tetradec-3-ene-5,9,12,13,14-pentol;2-hydroxypropane-1,2,3-tricarboxylic acid
  • Tetrodotoxin, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (salt)
  • 4368-28-9