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Compound Summary

theophylline

Compound Information

theophylline

Compound Name:	theophylline
Compound CID:	2153
Synonyms:	theophylline 58-55-9 1,3-Dimethylxanthine Elixophyllin Theophyllin More...
Iupac Name:	1,3-dimethyl-7H-purine-2,6-dione
InChI:	InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
InChIKey:	ZFXYFBGIUFBOJW-UHFFFAOYSA-N
Canonical Smiles:	CN1C2=C(C(=O)N(C1=O)C)NC=N2
Isomeric Smiles:	CN1C2=C(C(=O)N(C1=O)C)NC=N2
Molecular Weight:	180.16
Molecular Formula:	C7H8N4O2

Compound Structure

2D Structure:

3D Structure:

Computed Properties

theophylline

Molecular Weight:	180.16
Molecular Formula:	C7H8N4O2
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	0
Heavy Atom Count:	13
Complexity:	267

Synonyms

theophylline

theophylline	theophylline
theophylline	58-55-9
1,3-Dimethylxanthine	Elixophyllin
Theophyllin	Theolair
Nuelin	Theophylline anhydrous
Respbid	Theocin
Theo-dur	Elixophylline
Pseudotheophylline	Lanophyllin
Theovent	Uniphyl
Slo-phyllin	Accurbron
Armophylline	Bronkodyl
Doraphyllin	Liquophylline
Maphylline	Medaphyllin
Optiphyllin	Parkophyllin
Synophylate	Teofyllamin
Theacitin	Theocontin
Uniphyllin	Xantivent
Aerolate	Elixicon
Solosin	Teolair
Theobid	Theofol
Theograd	Theolix
Elixex	Acet-theocin
Slo-bid	Theophyl-225
Aerolate III	Duraphyl
Euphylong	Sustaire
Xanthium	Austyn
Somophyllin-t	Constant-T
Teofilina	Theochron
Asmax	Quibron T/SR
Theal tablets	1,3-dimethyl-7H-purine-2,6-dione
Somophyllin-DF	Bronkodyl SR
Theoclair-SR	Theoclear LA
Spophyllin retard	Choledyl SA
Quibron-T	Theoclear 80
Theophyline	Theo-11
Theo-24	Theostat 80
3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione	Synophylate-L.A. Cenules
Theophylline, anhydrous	Theo-Dur-Sprinkle
Aquaphyllin	Tefamin
Theodel	Unifyl
Theona P	1,3-Dimethyl-3,7-dihydro-1H-purine-2,6-dione
LaBID	Euphylline
Elixomin	Theolixir
Theophyl	Bronkotabs
Elixophyllin SR	Theophylline-SR
Somophyllin-CRT	Aerolate SR
Theo-Organidin	Theolair-SR
Theophyl-SR	1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-
GS 2591A	Uni-Dur
Theoclear-80	Quibron-T/SR
T-Phyl	Theoclear-200
Xanthine, 1,3-dimethyl-	Dimethylxanthine
NSC 2066	X 115
Quadrinal	Theobid Jr.
Theoclear L.A.-130	Theal tabl.
1,3-dimethyl-1H-purine-2,6(3H,7H)-dione	1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
UNII-0I55128JYK	2,6-Dihydroxy-1,3-dimethylpurine
Purine-2,6(1H,3H)-dione, 1,3-dimethyl-	Aerobin
Theodur	Theopek
Theospan	CHEMBL190
Theophylline USP	1H-Purine-2,6-dione, 3,9-dihydro-1,3-dimethyl-
MLS000069390	1,3-Dimethylxanthine;Theo-24
Diffumal	1,3-dimethyl-1H-purine-2,6(3H,9H)-dione
CHEBI:28177	LASMA
0I55128JYK	Pro-vent
Theophylline melting point standard	NSC-2066
58-55-9 (ANHYDROUS)	MFCD00079619
Teofilina Polish	NCGC00018117-07
NCGC00018117-17	Mudrane
Pulmidur	SMR000058537
Teonova	Theokin
Hylate	DSSTox_CID_1336
Nuelin SA	Bronchodid Duracap
1,3-dimethyl-1,3,7-trihydropurine-2,6-dione	DSSTox_RID_76090
Uniphyllin continus	DSSTox_GSID_21336
Teocen 200	Elixophyllin(e)
CAS-58-55-9	Theolair (TN)
Elixophyllin (TN)	Uniphyl (TN)
Quibron-t (TN)	Theodur G (TN)
CCRIS 4729	HSDB 3399
1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione	SR-01000075195
EINECS 200-385-7	Theo-24 (TN)
Telbans	Physpa
AI3-50216	Unicontin CR
4eoh	Aescin-IIA
1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydropurine	Theophylline form II
theophylline solu-tion	component of Primatene
Xanthine,3-dimethyl-	Opera_ID_76
Spectrum_001038	Theophylline (JP17)
2a3a	Prestwick0_000820
Prestwick0_000873	Prestwick1_000820
Prestwick1_000873	Prestwick2_000820
Prestwick2_000873	Prestwick3_000820
Prestwick3_000873	Spectrum2_000842
Spectrum3_000672	Spectrum4_000353
Spectrum5_001232	8-(2-Furyl)theophylline
UPCMLD-DP123	component of Theo-Organidin
EC 200-385-7	SCHEMBL4915
Theophylline Anhydrous,(S)	Theophylline Anhydrous, USP
Lopac0_000014	BSPBio_000719
BSPBio_000945	BSPBio_002363
component of Dicurin Procaine	GTPL413
KBioGR_000785	KBioSS_001518
MLS002152943	MLS002153487
MLS004491910	MLS006011970
ARONIS25346	BIDD:ER0557
BIDD:GT0151	DivK1c_000203
SPECTRUM1500568	SPBio_000823
SPBio_002640	SPBio_002866
BPBio1_000791	BPBio1_001041
SCHEMBL8312163	component of Tedral (Salt/Mix)
DTXSID5021336	UPCMLD-DP123:001
BCBcMAP01_000071	BDBM10847
BDBM82053	component of Quibron (Salt/Mix)
HMS500K05	KBio1_000203
KBio2_001518	KBio2_004086
KBio2_006654	KBio3_001583
NSC2066	component of Hecadrol (Salt/Mix)
NINDS_000203	HMS1921E03
HMS2089A06	HMS2092M05
HMS2233E16	HMS3259O06
HMS3369N14	Pharmakon1600-01500568
component of Primatene (Salt/Mix)	BCP30664
component of Bronkotabs (Salt/Mix)	HY-B0809
Theophylline 1.0 mg/ml in Methanol	Theophylline, >=99.0% (HPLC)
Theophylline-1,3-15N2,13C	Tox21_110827
Tox21_202375	Tox21_300028
BBL023514	CCG-20301
NSC757346	PDSP1_001018
PDSP1_001234	PDSP2_001002
PDSP2_001218	STK397040
Theophylline (1,3-dimethylxanthine)	ZINC18043251
AKOS000120961	AKOS005434016
component of Quibron Plus (Salt/Mix)	Tox21_110827_1
component of Quibron-T/SR (Salt/Mix)	component of Theo-organdin (Salt/Mix)
component of Theolair plus (Salt/Mix)	CS-4158
DB00277	MCULE-8236489917
NC00542	NSC-757346
Purine-2,3H)-dione, 1,3-dimethyl-	SDCCGMLS-0066620.P001
SDCCGSBI-0050003.P005	component of Theo-Organidin (Salt/Mix)
IDI1_000203	SMP1_000291
component of Slo-phyllin GG (Salt/Mix)	NCGC00018117-01
NCGC00018117-02	NCGC00018117-03
NCGC00018117-04	NCGC00018117-05
NCGC00018117-06	NCGC00018117-08
NCGC00018117-09	NCGC00018117-10
NCGC00018117-11	NCGC00018117-12
NCGC00018117-13	NCGC00018117-14
NCGC00018117-15	NCGC00018117-16
NCGC00018117-18	NCGC00018117-19
NCGC00018117-20	NCGC00018117-23
NCGC00018117-37	NCGC00022112-03
NCGC00022112-04	NCGC00022112-05
NCGC00022112-07	NCGC00022112-08
NCGC00022112-09	NCGC00022112-10
NCGC00022112-11	NCGC00022112-12
NCGC00254040-01	NCGC00259924-01
WLN: T56 BM DN FNVNVJ F1 H1	AC-20328
component of Dicurin Procaine (Salt/Mix)	NCI60_001736
SMR003435989	ST024762
Theophylline, anhydrous, >=99%, powder	component of Primatene tablets (Salt/Mix)
Purine,6(1H,3H)-dione, 1,3-dimethyl-	SBI-0050003.P004
component of Mudrane GG elixir (Salt/Mix)	DB-053224
Theophylline 100 microg/mL in Acetonitrile	1H-Purine-2, 3,7-dihydro-1,3-dimethyl-
AB00052106	FT-0631259
FT-0675140	N1442
T0179	6461-EP1441224A2
6461-EP2272835A1	6461-EP2272841A1
6461-EP2272844A1	6461-EP2280006A1
6461-EP2281813A1	6461-EP2281815A1
6461-EP2286811A1	6461-EP2295434A2
6461-EP2298305A1	6461-EP2301933A1
6461-EP2301936A1	6461-EP2301937A1
6461-EP2305219A1	6461-EP2305640A2
6461-EP2308562A2	6461-EP2311827A1
6461-EP2314590A1	C07130
D00371	D85002
83377-EP2371823A1	AB00052106-20
AB00052106-22	AB00052106-23
AB00052106_24	AB00052106_25
AB00052106_26	A900445
L000595	Q407308
1,3-Dimethyl-3,7-dihydro-1H-purine-2,6-dione #	Q-201819
SR-01000075195-1	SR-01000075195-3
SR-01000075195-5	1,3-Dimethyl-6-hydroxy-1,3-dihydro-2H-purin-2-one
BRD-K97799481-001-02-0	BRD-K97799481-001-12-9
BRD-K97799481-002-03-6	1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-, mo
F2173-0145	Z271004650
A3133D49-AAB6-49A1-B60B-B5198F327D3F	Theophylline, British Pharmacopoeia (BP) Reference Standard
Theophylline, European Pharmacopoeia (EP) Reference Standard	(8alpha, 9S)-10,11-Dihydro-6-methoxycinchonan-9-amine trihydrochloride, min. 90%
Theophylline melting point standard, United States Pharmacopeia (USP) Reference Standard	Theophylline solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material
Theophylline, Pharmaceutical Secondary Standard; Certified Reference Material	1246816-25-0
50857-74-4	75448-53-2
Theo-24;1,3-Dimethyl-3,7-dihydro-1H-purine-2,6-dione ;1,3-Dimethylxanthine;1,3-dimethyl-xanthin	Theophylline melting point standard, Pharmaceutical Secondary Standard; Certified Reference Material
Theophylline, certified reference material, United States Pharmacopeia (USP) Reference Standard

Experimental Data

theophylline

Species	Dose	Unit	Control(Avg days)	Treatment(Avg days)	Avg/Med Lifespan Change(%)	Significant	Strain	Gender	PubMed	Avg/Med Lifespan Change tab
Caenorhabditis elegans	50.000000000000000	ug/mL	17.330000000000000	18.290000000000000	0.060000000000000	S	N2		30061824	Active
Caenorhabditis elegans	33.000000000000000	umol/L			0.000000000000000	NS	N2		24134630	Inactive
Drosophila melanogaster	0.001000000000000	M			0.000000000000000	Unclear	Oregon-R	MALES	8326745
Drosophila melanogaster	0.000100000000000	M			4.400000000000000	Unclear	Oregon-R	MALES	8326745

Experimental Data Visualization

theophylline

Statistics Data

theophylline

Species	Avg/Med Lifespan Change(%)	Max Lifespan Change(%)	Count Reference	Count Data point
Caenorhabditis elegans	0.060000000000000		2	2
Drosophila melanogaster	4.400000000000000		1	2

Statistics Data Visualization

theophylline

Compound Name:

theophylline

Compound CID:

2153

Synonyms:

theophylline 58-55-9 1,3-Dimethylxanthine Elixophyllin Theophyllin More...

Iupac Name:

1,3-dimethyl-7H-purine-2,6-dione

InChI:

InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)

InChIKey:

ZFXYFBGIUFBOJW-UHFFFAOYSA-N

Canonical Smiles:

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

Isomeric Smiles:

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

Molecular Weight:

180.16

Molecular Formula:

C7H8N4O2

Molecular Weight:

180.16

Molecular Formula:

C7H8N4O2

Hydrogen Bond Donor Count:

1

Hydrogen Bond Acceptor Count:

3

Rotatable Bond Count:

0

Heavy Atom Count:

13

Complexity:

267

theophylline

58-55-9

1,3-Dimethylxanthine

Elixophyllin

Theophyllin

Theolair

Nuelin

Theophylline anhydrous

Respbid

Theocin

Theo-dur

Elixophylline

Pseudotheophylline

Lanophyllin

Theovent

Uniphyl

Slo-phyllin

Accurbron

Armophylline

Bronkodyl

Doraphyllin

Liquophylline

Maphylline

Medaphyllin

Optiphyllin

Parkophyllin

Synophylate

Teofyllamin

Theacitin

Theocontin

Uniphyllin

Xantivent

Aerolate

Elixicon

Solosin

Teolair

Theobid

Theofol

Theograd

Theolix

Elixex

Acet-theocin

Slo-bid

Theophyl-225

Aerolate III

Duraphyl

theophylline

58-55-9

1,3-Dimethylxanthine

Elixophyllin

Theophyllin

More...