TETRODOTOXIN

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C11H17N3O8
Molecular Weight	319.268
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of TETRODOTOXIN

Structure Search

SMILES

[H][C@]12O[C@@]3(O)O[C@]([H])([C@]4([H])[C@@H](O)N=C(N)N[C@]4([C@@H]1O)[C@@H]3O)[C@@]2(O)CO

InChI

InChIKey=CFMYXEVWODSLAX-QOZOJKKESA-N

InChI=1S/C11H17N3O8/c12-8-13-6(17)2-4-9(19,1-15)5-3(16)10(2,14-8)7(18)11(20,21-4)22-5/h2-7,15-20H,1H2,(H3,12,13,14)/t2-,3-,4-,5+,6-,7+,9+,10-,11+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C11H17N3O8
Molecular Weight	319.268
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:39:49 UTC 2023` Edited by `admin` on `Fri Dec 15 15:39:49 UTC 2023`
Record UNII	3KUM2721U9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TETRODOTOXIN

Official Name

English

TARICHATOXIN

Common Name

English

TECTIN

Common Name

English

ARAREGAI TOXIN

Common Name

English

5,9:7,10A-DIMETHANO-10AH-(1,3)DIOXOCINO(6,5-D)PYRIMIDINE-4,7,10,11,12-PENTOL, 2-AMINO-1,4,4A,5,9,10-HEXAHYDRO-12-(HYDROXYMETHYL)-, (4R,4AR,5R,7S,9S,10S,10AR,11S,12S)-

Systematic Name

English

TETRODOTOXINE

Common Name

English

TETRODOTOXIN [MI]

Common Name

English

Tetrodotoxin [WHO-DD]

Common Name

English

SPHEROIDINE

Common Name

English

tetrodotoxin [INN]

Common Name

English

BABYLONIA JAPONICA TOXIN 1

Common Name

English

PFT-1 TOXIN

Common Name

English

TTX

Code

English

BJT 1

Common Name

English

MACULOTOXIN

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C93038

Created by admin on Fri Dec 15 15:39:49 UTC 2023 , Edited by admin on Fri Dec 15 15:39:49 UTC 2023

NCI_THESAURUS

C688

Created by admin on Fri Dec 15 15:39:49 UTC 2023 , Edited by admin on Fri Dec 15 15:39:49 UTC 2023

Code System Code Type Description

PUBCHEM

11174599

Created by admin on Fri Dec 15 15:39:49 UTC 2023 , Edited by admin on Fri Dec 15 15:39:49 UTC 2023

PRIMARY

CAS

4368-28-9

Created by admin on Fri Dec 15 15:39:49 UTC 2023 , Edited by admin on Fri Dec 15 15:39:49 UTC 2023

PRIMARY

FDA UNII

3KUM2721U9

Created by admin on Fri Dec 15 15:39:49 UTC 2023 , Edited by admin on Fri Dec 15 15:39:49 UTC 2023

PRIMARY

DRUG BANK

DB05232

Created by admin on Fri Dec 15 15:39:49 UTC 2023 , Edited by admin on Fri Dec 15 15:39:49 UTC 2023

PRIMARY

SMS_ID

300000037002

Created by admin on Fri Dec 15 15:39:49 UTC 2023 , Edited by admin on Fri Dec 15 15:39:49 UTC 2023

PRIMARY

WIKIPEDIA

TETRODOTOXIN

Created by admin on Fri Dec 15 15:39:49 UTC 2023 , Edited by admin on Fri Dec 15 15:39:49 UTC 2023

PRIMARY

INN

10243

Created by admin on Fri Dec 15 15:39:49 UTC 2023 , Edited by admin on Fri Dec 15 15:39:49 UTC 2023

PRIMARY

MESH

D013779

Created by admin on Fri Dec 15 15:39:49 UTC 2023 , Edited by admin on Fri Dec 15 15:39:49 UTC 2023

PRIMARY

CHEBI

9506

Created by admin on Fri Dec 15 15:39:49 UTC 2023 , Edited by admin on Fri Dec 15 15:39:49 UTC 2023

PRIMARY

NCI_THESAURUS

C78845

Created by admin on Fri Dec 15 15:39:49 UTC 2023 , Edited by admin on Fri Dec 15 15:39:49 UTC 2023

PRIMARY

HSDB

3543

Created by admin on Fri Dec 15 15:39:49 UTC 2023 , Edited by admin on Fri Dec 15 15:39:49 UTC 2023

PRIMARY

MERCK INDEX

m10664

Created by admin on Fri Dec 15 15:39:49 UTC 2023 , Edited by admin on Fri Dec 15 15:39:49 UTC 2023

PRIMARY

Merck Index

ECHA (EC/EINECS)

224-458-8

Created by admin on Fri Dec 15 15:39:49 UTC 2023 , Edited by admin on Fri Dec 15 15:39:49 UTC 2023

PRIMARY

EPA CompTox

DTXSID10881342

Created by admin on Fri Dec 15 15:39:49 UTC 2023 , Edited by admin on Fri Dec 15 15:39:49 UTC 2023

PRIMARY

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