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theophylline monohydrate
(Q47495785)
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From Wikidata
chemical compound
theophylline
edit
Language
Label
Description
Also known as
default for all languages
No label defined
–
English
theophylline monohydrate
chemical compound
theophylline
Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
198.075287±0
dalton
1 reference
stated in
ChemSpider
ChemSpider ID
82416
retrieved
25 January 2018
chemical formula
C₇H₁₀N₄O₃
1 reference
stated in
PubChem
PubChem CID
91268
retrieved
26 January 2022
canonical SMILES
CN2C1=C(C(N(C2=O)C)=O)N=CN1.O
1 reference
UNII
C137DTR5RG
retrieved
25 January 2018
stated in
Global Substance Registration System
active ingredient in
Theochron
1 reference
stated in
RxNorm
RxNorm ID
203401
retrieved
14 February 2018
Theo-24
1 reference
stated in
RxNorm
RxNorm ID
203388
retrieved
14 February 2018
Uniphyl
1 reference
stated in
RxNorm
RxNorm ID
203377
retrieved
14 February 2018
Elixophyllin
1 reference
stated in
RxNorm
RxNorm ID
203394
retrieved
14 February 2018
significant drug interaction
erythromycin
side effect
Achor-Smith syndrom
1 reference
sourcing circumstances
established
stated in
A reference set of clinically relevant adverse drug-drug interactions
clarithromycin
side effect
Achor-Smith syndrom
1 reference
sourcing circumstances
probably
stated in
A reference set of clinically relevant adverse drug-drug interactions
fluconazole
side effect
Achor-Smith syndrom
1 reference
sourcing circumstances
probably
stated in
A reference set of clinically relevant adverse drug-drug interactions
lithium
side effect
Achor-Smith syndrom
1 reference
sourcing circumstances
hypothetically
stated in
A reference set of clinically relevant adverse drug-drug interactions
vemurafenib
side effect
Achor-Smith syndrom
1 reference
sourcing circumstances
hypothetically
stated in
A reference set of clinically relevant adverse drug-drug interactions
pentoxifylline
side effect
seizure
1 reference
sourcing circumstances
probably
stated in
A reference set of clinically relevant adverse drug-drug interactions
pentoxifylline
side effect
nausea
1 reference
sourcing circumstances
probably
stated in
A reference set of clinically relevant adverse drug-drug interactions
pentoxifylline
side effect
vomiting
1 reference
sourcing circumstances
probably
stated in
A reference set of clinically relevant adverse drug-drug interactions
pentoxifylline
side effect
palpitation
1 reference
sourcing circumstances
probably
stated in
A reference set of clinically relevant adverse drug-drug interactions
norfloxacin
side effect
seizure
1 reference
sourcing circumstances
hypothetically
stated in
A reference set of clinically relevant adverse drug-drug interactions
norfloxacin
side effect
nausea
1 reference
sourcing circumstances
hypothetically
stated in
A reference set of clinically relevant adverse drug-drug interactions
norfloxacin
side effect
vomiting
1 reference
sourcing circumstances
hypothetically
stated in
A reference set of clinically relevant adverse drug-drug interactions
norfloxacin
side effect
palpitation
1 reference
sourcing circumstances
hypothetically
stated in
A reference set of clinically relevant adverse drug-drug interactions
clarithromycin
side effect
seizure
1 reference
sourcing circumstances
probably
stated in
A reference set of clinically relevant adverse drug-drug interactions
clarithromycin
side effect
nausea
1 reference
sourcing circumstances
probably
stated in
A reference set of clinically relevant adverse drug-drug interactions
clarithromycin
side effect
vomiting
1 reference
sourcing circumstances
probably
stated in
A reference set of clinically relevant adverse drug-drug interactions
clarithromycin
side effect
palpitation
1 reference
sourcing circumstances
probably
stated in
A reference set of clinically relevant adverse drug-drug interactions
fluvoxamine
side effect
seizure
1 reference
sourcing circumstances
established
stated in
A reference set of clinically relevant adverse drug-drug interactions
fluvoxamine
side effect
nausea
1 reference
sourcing circumstances
established
stated in
A reference set of clinically relevant adverse drug-drug interactions
fluvoxamine
side effect
vomiting
1 reference
sourcing circumstances
established
stated in
A reference set of clinically relevant adverse drug-drug interactions
fluvoxamine
side effect
palpitation
1 reference
sourcing circumstances
established
stated in
A reference set of clinically relevant adverse drug-drug interactions
cimetidine
side effect
seizure
1 reference
sourcing circumstances
probably
stated in
A reference set of clinically relevant adverse drug-drug interactions
cimetidine
side effect
nausea
1 reference
sourcing circumstances
probably
stated in
A reference set of clinically relevant adverse drug-drug interactions
cimetidine
side effect
vomiting
1 reference
sourcing circumstances
probably
stated in
A reference set of clinically relevant adverse drug-drug interactions
cimetidine
side effect
palpitation
1 reference
sourcing circumstances
probably
stated in
A reference set of clinically relevant adverse drug-drug interactions
ciprofloxacin
side effect
seizure
1 reference
sourcing circumstances
established
stated in
A reference set of clinically relevant adverse drug-drug interactions
ciprofloxacin
side effect
palpitation
1 reference
sourcing circumstances
established
stated in
A reference set of clinically relevant adverse drug-drug interactions
ciprofloxacin
side effect
nausea
1 reference
sourcing circumstances
established
stated in
A reference set of clinically relevant adverse drug-drug interactions
ciprofloxacin
side effect
vomiting
1 reference
sourcing circumstances
established
stated in
A reference set of clinically relevant adverse drug-drug interactions
subject has role
phosphodiesterase inhibitor
1 reference
stated in
NDF-RT
NDF-RT ID
N0000146467
retrieved
5 March 2018
NCI Thesaurus ID
C872
1 reference
stated in
Global Substance Registration System
UNII
C137DTR5RG
retrieved
25 January 2018
Identifiers
InChI
InChI=1S/C7H8N4O2.H2O/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;/h3H,1-2H3,(H,8,9);1H2
1 reference
stated in
ChemSpider
ChemSpider ID
82416
retrieved
25 January 2018
InChIKey
INQSMEFCAIHTJG-UHFFFAOYSA-N
1 reference
stated in
Global Substance Registration System
UNII
C137DTR5RG
retrieved
25 January 2018
CAS Registry Number
5967-84-0
2 references
stated in
Global Substance Registration System
UNII
C137DTR5RG
retrieved
25 January 2018
stated in
CAS Common Chemistry
retrieved
6 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=5967-84-0
InChIKey
INQSMEFCAIHTJG-UHFFFAOYSA-N
ChemSpider ID
82416
1 reference
stated in
ChemSpider
ChemSpider ID
82416
retrieved
25 January 2018
PubChem CID
91268
2 references
stated in
PubChem
PubChem CID
CID91268
retrieved
25 January 2018
matched by identifier from
InChIKey
InChIKey
INQSMEFCAIHTJG-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL387338
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
INQSMEFCAIHTJG-UHFFFAOYSA-N
UniChem compound ID
668802
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40208361
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
INQSMEFCAIHTJG-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID60130852
0 references
NSC number
757346
0 references
EC number
611-861-2
1 reference
stated in
ECHA Substance Infocard database
ECHA Substance Infocard ID
100.110.629
retrieved
27 December 2018
title
1H-Purine-2,6-dione, 3,9-dihydro-1,3-dimethyl-, hydrate (1:1)
(English)
quotation
CAS no.: 5967-84-0
(English)
ECHA Substance Infocard ID
100.110.629
1 reference
stated in
ECHA Substance Infocard database
ECHA Substance Infocard ID
100.110.629
retrieved
27 December 2018
title
1H-Purine-2,6-dione, 3,9-dihydro-1,3-dimethyl-, hydrate (1:1)
(English)
quotation
CAS no.: 5967-84-0
(English)
RxNorm ID
10438
1 reference
stated in
Global Substance Registration System
UNII
C137DTR5RG
retrieved
25 January 2018
UNII
C137DTR5RG
2 references
stated in
Global Substance Registration System
UNII
C137DTR5RG
retrieved
25 January 2018
matched by identifier from
InChIKey
InChIKey
INQSMEFCAIHTJG-UHFFFAOYSA-N
NDF-RT ID
N0000146467
1 reference
stated in
NDF-RT
NDF-RT ID
N0000146467
retrieved
26 February 2018
Probes And Drugs ID
PD045858
0 references
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Wikipedia
(0 entries)
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(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
(0 entries)
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