TETRODAMINOTOXIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C11H18N4O7
Molecular Weight	318.2832
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12[C@@H](N)N=C(N)N[C@@]13[C@@H](O)[C@@H]4O[C@@](O)(O[C@H]2[C@@]4(O)CO)[C@H]3O

InChI

InChIKey=XFOGROMNLHTHEH-FDOMXQSUSA-N

InChI=1S/C11H18N4O7/c12-6-2-4-9(19,1-16)5-3(17)10(2,15-8(13)14-6)7(18)11(20,21-4)22-5/h2-7,16-20H,1,12H2,(H3,13,14,15)/t2-,3?,4-,5+,6+,7+,9+,10-,11+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C11H18N4O7
Molecular Weight	318.2832
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 `Sat Dec 16 13:26:09 GMT 2023` Edited by `admin` on `Sat Dec 16 13:26:09 GMT 2023`
Record UNII	8PYV52X857
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TETRODAMINOTOXIN

Common Name

English

TETRODOTOXIN, 4-AMINO-4-DEOXY-, (4-ALPHA)-

Common Name

English

AMINODESOXYTETRODOTOXIN

Common Name

English

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

Systematic Name

English

4-AMINODEOXYTETRODOTOXIN

Common Name

English

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

Systematic Name

English

Code System Code Type Description

PUBCHEM

162394681

Created by admin on Sat Dec 16 13:26:09 GMT 2023 , Edited by admin on Sat Dec 16 13:26:09 GMT 2023

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EPA CompTox

DTXSID501316560

Created by admin on Sat Dec 16 13:26:09 GMT 2023 , Edited by admin on Sat Dec 16 13:26:09 GMT 2023

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CAS

7724-38-1

Created by admin on Sat Dec 16 13:26:09 GMT 2023 , Edited by admin on Sat Dec 16 13:26:09 GMT 2023

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FDA UNII

8PYV52X857

Created by admin on Sat Dec 16 13:26:09 GMT 2023 , Edited by admin on Sat Dec 16 13:26:09 GMT 2023

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