NORTETRODOTOXIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C10H13N3O7
Molecular Weight	287.2261
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12O[C@@]3(O)O[C@@]([H])(C1=O)[C@]4([H])[C@@H](O)N=C(N)N[C@]4([C@@H]2O)[C@@H]3O

InChI

InChIKey=UMMRDVHXDFCFAA-BCAPANJFSA-N

InChI=1S/C10H13N3O7/c11-8-12-6(16)1-3-2(14)4-5(15)9(1,13-8)7(17)10(18,19-3)20-4/h1,3-7,15-18H,(H3,11,12,13)/t1-,3-,4-,5-,6-,7+,9-,10+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C10H13N3O7
Molecular Weight	287.2261
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:50:26 GMT 2023` Edited by `admin` on `Sat Dec 16 12:50:26 GMT 2023`
Record UNII	V7Q8XTJ98Q
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NORTETRODOTOXIN

Common Name

English

5,9:7,10A-DIMETHANO-10AH-(1,3)DIOXOCINO(6,5-D)PYRIMIDIN-12-ONE, OCTAHYDRO-4,7,10,11-TETRAHYDROXY-2-IMINO-, (4R-(4.ALPHA.,4A.ALPHA.,5.ALPHA.,7.ALPHA.,9.ALPHA.,10.ALPHA.,10A.BETA.,11S*))-

Systematic Name

English

5,9:7,10A-DIMETHANO-10AH-(1,3)DIOXOCINO(6,5-D)PYRIMIDIN-12-ONE, OCTAHYDRO-4,7,10,11-TETRAHYDROXY-2-IMINO-, (4R,4AR,5R,7S,9S,10S,10AR,11S)-

Systematic Name

English

TETRODOTOXIN, 6-DE(HYDROXYMETHYL)-6-DEOXY-6-OXO-

Common Name

English

11-NORTETRODOTOXIN

Common Name

English

Code System Code Type Description

CAS

70170-72-8

Created by admin on Sat Dec 16 12:50:26 GMT 2023 , Edited by admin on Sat Dec 16 12:50:26 GMT 2023

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PUBCHEM

131634793

Created by admin on Sat Dec 16 12:50:26 GMT 2023 , Edited by admin on Sat Dec 16 12:50:26 GMT 2023

PRIMARY

FDA UNII

V7Q8XTJ98Q

Created by admin on Sat Dec 16 12:50:26 GMT 2023 , Edited by admin on Sat Dec 16 12:50:26 GMT 2023

PRIMARY

Related Record Type Details


					V7Q8XTJ98Q

NORTETRODOTOXIN

ACTIVE MOIETY