THEOPHYLLINE

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H8N4O2.H2O
Molecular Weight	198.1793
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of THEOPHYLLINE

Structure Search

SMILES

O.CN1C2=C(N=CN2)C(=O)N(C)C1=O

InChI

InChIKey=INQSMEFCAIHTJG-UHFFFAOYSA-N

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

HIDE SMILES / InChI

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C7H8N4O2
Molecular Weight	180.164
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:20:57 UTC 2023` Edited by `admin` on `Fri Dec 15 15:20:57 UTC 2023`
Record UNII	C137DTR5RG
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

THEOPHYLLINE

Official Name

English

THEOPHYLLINE [USP MONOGRAPH]

Common Name

English

THEOPHYLLINE [VANDF]

Common Name

English

CAFFEINE IMPURITY A [EP IMPURITY]

Common Name

English

THEOLAIR-SR

Brand Name

English

THEOPHYLLINE [II]

Common Name

English

THEOPHYLLINE [USP]

Common Name

English

THEOPHYLLINE [IARC]

Common Name

English

THEOPHYLLINE [EP IMPURITY]

Common Name

English

THEOPHYLLINE [INCI]

Common Name

English

THEOCHRON

Brand Name

English

THEOPHYLLINE [ORANGE BOOK]

Common Name

English

1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-1,3-DIMETHYL-, MONOHYDRATE

Systematic Name

English

Theophylline monohydrate

Systematic Name

English

THEOPHYLLINE MONOHYDRATE [EP MONOGRAPH]

Common Name

English

Theophylline monohydrate [WHO-DD]

Common Name

English

THEOPHYLLINE [JAN]

Common Name

English

ELIXOPHYLLIN

Brand Name

English

THEOPHYLLINE COMPONENT OF DICURIN PROCAINE

Common Name

English

CAFFEINE MONOHYDRATE IMPURITY A [EP IMPURITY]

Common Name

English

UNIPHYL

Brand Name

English

DICURIN PROCAINE COMPONENT THEOPHYLLINE

Common Name

English

THEO-24

Brand Name

English

NSC-757346

Code

English

MERSALYL-THEOPHYLLINE COMPONENT THEOPHYLLINE

Common Name

English

DIPROPHYLLINE IMPURITY B [EP IMPURITY]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C221

Created by admin on Fri Dec 15 15:20:57 UTC 2023 , Edited by admin on Fri Dec 15 15:20:57 UTC 2023

NDF-RT

N0000175790

Created by admin on Fri Dec 15 15:20:57 UTC 2023 , Edited by admin on Fri Dec 15 15:20:57 UTC 2023

WHO-ATC

R03DA74

Created by admin on Fri Dec 15 15:20:57 UTC 2023 , Edited by admin on Fri Dec 15 15:20:57 UTC 2023

NCI_THESAURUS

C319

Created by admin on Fri Dec 15 15:20:57 UTC 2023 , Edited by admin on Fri Dec 15 15:20:57 UTC 2023

DSLD

3373 (Number of products:11)

Created by admin on Fri Dec 15 15:20:57 UTC 2023 , Edited by admin on Fri Dec 15 15:20:57 UTC 2023

WHO-ATC

R03DA04

Created by admin on Fri Dec 15 15:20:57 UTC 2023 , Edited by admin on Fri Dec 15 15:20:57 UTC 2023

IARC

Theophylline

WHO-ATC

R03DB04

Created by admin on Fri Dec 15 15:20:57 UTC 2023 , Edited by admin on Fri Dec 15 15:20:57 UTC 2023

LIVERTOX

NBK548479

Created by admin on Fri Dec 15 15:20:57 UTC 2023 , Edited by admin on Fri Dec 15 15:20:57 UTC 2023

CFR

21 CFR 862.3880

Created by admin on Fri Dec 15 15:20:57 UTC 2023 , Edited by admin on Fri Dec 15 15:20:57 UTC 2023

WHO-VATC

QR03DB04

Created by admin on Fri Dec 15 15:20:57 UTC 2023 , Edited by admin on Fri Dec 15 15:20:57 UTC 2023

WHO-ATC

R03DA54

Created by admin on Fri Dec 15 15:20:57 UTC 2023 , Edited by admin on Fri Dec 15 15:20:57 UTC 2023

WHO-VATC

QR03DA54

Created by admin on Fri Dec 15 15:20:57 UTC 2023 , Edited by admin on Fri Dec 15 15:20:57 UTC 2023

WHO-VATC

QR03DA74

Created by admin on Fri Dec 15 15:20:57 UTC 2023 , Edited by admin on Fri Dec 15 15:20:57 UTC 2023

WHO-VATC

QR03DA04

Created by admin on Fri Dec 15 15:20:57 UTC 2023 , Edited by admin on Fri Dec 15 15:20:57 UTC 2023

Code System Code Type Description

NCI_THESAURUS

C872

Created by admin on Fri Dec 15 15:20:57 UTC 2023 , Edited by admin on Fri Dec 15 15:20:57 UTC 2023

PRIMARY

EPA CompTox

DTXSID40208361

Created by admin on Fri Dec 15 15:20:57 UTC 2023 , Edited by admin on Fri Dec 15 15:20:57 UTC 2023

PRIMARY

ChEMBL

CHEMBL190

Created by admin on Fri Dec 15 15:20:57 UTC 2023 , Edited by admin on Fri Dec 15 15:20:57 UTC 2023

PRIMARY

RS_ITEM_NUM

1653004

Created by admin on Fri Dec 15 15:20:57 UTC 2023 , Edited by admin on Fri Dec 15 15:20:57 UTC 2023

PRIMARY

DRUG CENTRAL

2620

Created by admin on Fri Dec 15 15:20:57 UTC 2023 , Edited by admin on Fri Dec 15 15:20:57 UTC 2023

PRIMARY

LACTMED

Theophylline

Created by admin on Fri Dec 15 15:20:57 UTC 2023 , Edited by admin on Fri Dec 15 15:20:57 UTC 2023

PRIMARY

IUPHAR

413

Created by admin on Fri Dec 15 15:20:57 UTC 2023 , Edited by admin on Fri Dec 15 15:20:57 UTC 2023

PRIMARY

FDA UNII

C137DTR5RG

Created by admin on Fri Dec 15 15:20:57 UTC 2023 , Edited by admin on Fri Dec 15 15:20:57 UTC 2023

PRIMARY

SMS_ID

100000076988

Created by admin on Fri Dec 15 15:20:57 UTC 2023 , Edited by admin on Fri Dec 15 15:20:57 UTC 2023

PRIMARY

CAS

5967-84-0

Created by admin on Fri Dec 15 15:20:57 UTC 2023 , Edited by admin on Fri Dec 15 15:20:57 UTC 2023

PRIMARY

DRUG BANK

DB00277

Created by admin on Fri Dec 15 15:20:57 UTC 2023 , Edited by admin on Fri Dec 15 15:20:57 UTC 2023

PRIMARY

PUBCHEM

91268

Created by admin on Fri Dec 15 15:20:57 UTC 2023 , Edited by admin on Fri Dec 15 15:20:57 UTC 2023

PRIMARY

RXCUI

10438

Created by admin on Fri Dec 15 15:20:57 UTC 2023 , Edited by admin on Fri Dec 15 15:20:57 UTC 2023

PRIMARY

RxNorm

NSC

757346

Created by admin on Fri Dec 15 15:20:57 UTC 2023 , Edited by admin on Fri Dec 15 15:20:57 UTC 2023

PRIMARY

WIKIPEDIA

THEOPHYLLINE

Created by admin on Fri Dec 15 15:20:57 UTC 2023 , Edited by admin on Fri Dec 15 15:20:57 UTC 2023

PRIMARY

CHEBI

28177

Created by admin on Fri Dec 15 15:20:57 UTC 2023 , Edited by admin on Fri Dec 15 15:20:57 UTC 2023

PRIMARY

MESH

D013806

Created by admin on Fri Dec 15 15:20:57 UTC 2023 , Edited by admin on Fri Dec 15 15:20:57 UTC 2023

PRIMARY

EVMPD

SUB15516MIG

Created by admin on Fri Dec 15 15:20:57 UTC 2023 , Edited by admin on Fri Dec 15 15:20:57 UTC 2023

PRIMARY

EVMPD

SUB15520MIG

Created by admin on Fri Dec 15 15:20:57 UTC 2023 , Edited by admin on Fri Dec 15 15:20:57 UTC 2023

PRIMARY

DAILYMED

C137DTR5RG

Created by admin on Fri Dec 15 15:20:57 UTC 2023 , Edited by admin on Fri Dec 15 15:20:57 UTC 2023

PRIMARY

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THEOPHYLLINE ANHYDROUS

ANHYDROUS->SOLVATE


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THEOPHYLLINE ANHYDROUS

PARENT -> SALT/SOLVATE


					0I55128JYK

THEOPHYLLINE ANHYDROUS

BASIS OF STRENGTH->SUBSTANCE

Interaction Type:

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Qualification:

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Amount:


					VK4SQL11C0

CYTOCHROME P450 1A2

METABOLIC ENZYME -> SUBSTRATE


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THEOPHYLLINE ANHYDROUS

BASIS OF STRENGTH->SUBSTANCE

Interaction Type:

ASSAY (TITRATION)

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EP

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1,3-DIMETHYLURIC ACID

IMPURITY -> PARENT

Interaction Type:

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Amount:


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CAFFEINE MONOHYDRATE

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

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Amount:


					AT170UTH0F

6-AMINO-5-FORMAMIDO-1,3-DIMETHYLURACIL

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount:


					AT170UTH0F

6-AMINO-5-FORMAMIDO-1,3-DIMETHYLURACIL

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount:


					3G6A5W338E

CAFFEINE

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

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Amount:


					76560HOO1I

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

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EP

Amount:


					L164909TBI

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount:


					WS6X982OEC

3-METHYLXANTHINE

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount:


					WS6X982OEC

3-METHYLXANTHINE

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

USP

Amount:


					263T0E9RR9

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount:


					3G6A5W338E

CAFFEINE

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

USP

Amount:


					L164909TBI

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

USP

Amount:

Related Record Type Details


					0I55128JYK

THEOPHYLLINE ANHYDROUS

ACTIVE MOIETY