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Benzoquinonium

HCID 9394
NotesReactions
Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
7554-16-7
Standard SMILES
CC[N+](CC)(CCCNC1=CC(=O)C(NCCC[N+](CC)(CC)Cc2ccccc2)=CC1=O)Cc1ccccc1
InChIKey
YERABYSOHUZTPQ-UHFFFAOYSA-P
Molecular formula
C34H50N4O2+2
Average molar mass
546.8 g/mol
Monoisotopic mass
546.39337685

Overview

Endo-1,4-beta-Xylanase is an aromatic amine.

Names & identifiers

Preferred name
Benzoquinonium
IUPAC
benzyl-[3-[[4-[3-[benzyl(diethyl)azaniumyl]propylamino]-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]propyl]-diethylazanium
English name
Endo-1,4-beta Xylanases
Molecular formula
Null
Molecular weight
0

Names & synonyms

Benzoquinonium7554-16-7T91WJ82JOZ(2,5-benzoquinonylenebisiminotrimethylene)bis(benzyldiethylammonium)RefChem:590800Benzenemethanaminium, N,N'-((3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)bis(imino-3,1-propanediyl))bis(N,N-diethyl)-9025-57-4Xylanase, endo-1,4-b-benzyl-[3-[[4-[3-[benzyl(diethyl)azaniumyl]propylamino]-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]propyl]-diethylazaniumUNII-T91WJ82JOZPentosanasebenzoquinonium-dibromide
Show more names
endoxylanaseAcid XylanaseFUNGALXYLANASEXylanase, endo-1alkaline xylanaseXylanase, endo-1,4-Feed grade xylanaseXylanase , thermostableXylanase 2, thermostableXylanase 1, thermostable
Tocris-0424BENZOQUINONIUM IONendo-1,4-|A-xylanaseBENZOQUINONIUM CATION1,4-b-D-Xylan xylanohydrolaseXylanase from Trichoderma viride311-09-1 (di-Chloride)CHEMBL1358790

Properties

Computed structural properties

XLogP
5.7
Topological polar surface area
58.2 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
18
Heavy atoms
40
Formal charge
2
Complexity
774

Physicochemical properties

storage temp.
2 · 2-8°C
form
lyophilized powder
CAS DataBase Reference
9025 · 9025-57-4
EPA Substance Registry System
-1 · Endo-1,4-.beta.-xylanase (9025-57-4)
Safety Statements
22 · 22-24/25
WGK Germany
3 · 3

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Hazard information

Regulatory Information · 2 items

Chemical: Pentosanase

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Other Safety InformationIMAP assessments - Pentosanase: Environment tier I assessment

Safety data

wgk
3
safety_code
22-24/25

Chemistry & industry

Pharmacology

Cellular LocationsMembrane

Uses & manufacturing

Use ClassificationFood Additives -> ENZYME_PREPARATION -> JECFA Functional Classes
General Manufacturing InformationEndo-1,4-.beta.-xylanase: ACTIVE

Applications

DescriptionEndo-1,4-beta Xylanases can be obtained from animals, plants and microorganisms. At present, the production of xylanase mainly relies on the fermentation of microorganisms such as fungi and bacteria.

UsesEndo-1,4-beta Xylanases can be used in papermaking, feed and food industries and other fields.

Related reactions

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Compound notes

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On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes

Database identifiers

CAS
7554-16-7、9025-57-4、9068-42-2
PubChem CID
9394
DTXSID
DTXSID60997003
ChEMBL
CHEMBL1358790
ChEBI
CHEBI:173301
UNII
T91WJ82JOZ
Nikkaji
J535.192H