8-chlorotheophylline (Q4644272)

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chemical compound

• 8-chloro-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
• 1,3-dimethyl-8-chloroxanthine
• chlortheophylline
• Chlorotheophylline
• Chlortheophylline
• 8-chloro-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

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Language	Label	Description	Also known as
English	8-chlorotheophylline	chemical compound	8-chloro-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione 1,3-dimethyl-8-chloroxanthine chlortheophylline Chlorotheophylline Chlortheophylline 8-chloro-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

0 references

chemical structure

8-Chlorotheophylline.svg
512 × 396; 4 KB

0 references

image of molecular model or crystal lattice model

8-Chlorotheophylline 3D spacefill.png
2,000 × 1,629; 528 KB

depicts

space-filling model

0 references

mass

214.026 dalton

1 reference

stated in

PubChem

PubChem CID

10661

language of work or name

English

title

8-Chlorotheophylline (English)

retrieved

19 October 2016

chemical formula

C₇H₇ClN₄O₂

1 reference

stated in

PubChem

PubChem CID

10661

language of work or name

English

title

8-Chlorotheophylline (English)

retrieved

19 November 2016

canonical SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Cl

1 reference

stated in

PubChem

PubChem CID

10661

language of work or name

English

title

8-Chlorotheophylline (English)

retrieved

19 November 2016

Commons category

8-Chlorotheophylline

0 references

Identifiers

InChI

InChI=1S/C7H7ClN4O2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h1-2H3,(H,9,10)

1 reference

stated in

PubChem

PubChem CID

10661

language of work or name

English

title

8-Chlorotheophylline (English)

retrieved

19 November 2016

InChIKey

RYIGNEOBDRVTHA-UHFFFAOYSA-N

2 references

stated in

PubChem

PubChem CID

10661

language of work or name

English

title

8-Chlorotheophylline (English)

retrieved

19 November 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

85-18-7

2 references

stated in

Global Substance Registration System

UNII

GE2UA340FM

language of work or name

English

title

chlortheophylline (English)

retrieved

19 November 2016

InChIKey

RYIGNEOBDRVTHA-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

10 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=85-18-7

ChemSpider ID

10211

1 reference

stated in

ChemSpider

ChemSpider ID

10211

language of work or name

English

title

8-Chlorotheophyline (English)

retrieved

19 November 2016

PubChem CID

10661

2 references

stated in

PubChem

PubChem CID

10661

language of work or name

English

title

8-Chlorotheophylline (English)

retrieved

19 November 2016

matched by identifier from

InChIKey

InChIKey

RYIGNEOBDRVTHA-UHFFFAOYSA-N

Reaxys registry number

203068

1 reference

stated in

ChEBI

ChEBI ID

59771

language of work or name

English

title

8-chlorotheophylline (English)

retrieved

19 October 2016

ChEBI ID

59771

mapping relation type

exact match

2 references

stated in

ChEMBL

ChEMBL ID

CHEMBL88611

language of work or name

English

title

8-CHLOROTHEOPHYLLINE (English)

retrieved

19 November 2016

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C7H7ClN4O2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h1-2H3,(H,9,10)

ChEMBL ID

CHEMBL88611

1 reference

stated in

ChEMBL

ChEMBL ID

CHEMBL88611

language of work or name

English

title

8-CHLOROTHEOPHYLLINE (English)

retrieved

19 November 2016

SureChEMBL ID

SCHEMBL411139

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

RYIGNEOBDRVTHA-UHFFFAOYSA-N

UniChem compound ID

581838

1 reference

stated in

UniChem

MassBank accession ID

MSBNK-UPAO-UPA00023

0 references

MSBNK-Waters-WA001666

0 references

MSBNK-Waters-WA001667

0 references

MSBNK-Waters-WA001668

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MSBNK-Waters-WA001669

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MSBNK-Waters-WA001670

0 references

DSSTox substance ID

DTXSID5043764

2 references

stated in

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

matched by identifier from

InChIKey

InChIKey

RYIGNEOBDRVTHA-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID3023764

0 references

NSC number

6113

0 references

EC number

201-590-4

1 reference

stated in

Global Substance Registration System

UNII

GE2UA340FM

language of work or name

English

title

chlortheophylline (English)

retrieved

19 November 2016

ECHA Substance Infocard ID

100.001.446

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.001.446

retrieved

27 December 2018

title

8-chlorotheophylline (English)

quotation

CAS no.: 85-18-7 (English)

RxNorm ID

1546416

1 reference

stated in

Global Substance Registration System

UNII

GE2UA340FM

language of work or name

English

title

chlortheophylline (English)

retrieved

19 November 2016

DrugBank ID

DB14132

1 reference

matched by identifier from

InChIKey

InChIKey

RYIGNEOBDRVTHA-UHFFFAOYSA-N

Human Metabolome Database ID

HMDB0247429

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

RYIGNEOBDRVTHA-UHFFFAOYSA-N

UNII

GE2UA340FM

2 references

stated in

Global Substance Registration System

UNII

GE2UA340FM

language of work or name

English

title

chlortheophylline (English)

retrieved

19 November 2016

matched by identifier from

InChIKey

InChIKey

RYIGNEOBDRVTHA-UHFFFAOYSA-N

Probes And Drugs ID

PD013887

0 references

PDB ligand ID

H33

0 references

Freebase ID

/m/0282tcc

0 references

Microsoft Academic ID

2778345166

0 references

PDB structure ID

2UY3

1 reference

stated in

Protein Data Bank

PDB structure ID

2UY3

language of work or name

English

title

2UY3 (English)

retrieved

19 October 2016

 

Sitelinks

Wikipedia(8 entries)

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• dewiki 8-Chlortheophyllin
• enwiki 8-Chlorotheophylline
• jawiki 8-クロロテオフィリン
• ptwiki 8-Cloroteofilina
• shwiki 8-Hloroteofilin
• srwiki 8-Hloroteofilin
• trwiki 8-Kloroteofilin
• viwiki 8-Chlorotheophylline

Wikibooks(0 entries)

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Wikinews(0 entries)

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Wikiquote(0 entries)

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Wikisource(0 entries)

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Wikiversity(0 entries)

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Wikivoyage(0 entries)

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Wiktionary(0 entries)

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Multilingual sites(1 entry)

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• commonswiki Category:8-Chlorotheophylline

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