Compound - Results

Diprophylline

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Information Structure
Name Diprophylline
Synonyms
(1,2-Dihydroxy-3-propyl)thiophyllin
1,3-Dimethyl-7-(2,3-dihydroxypropyl)xanthine
1H-Purine-2,6-dione, 7-(2,3-dihydroxypropyl)-3,7-dihydro-1,3-dimethyl
5-26-14-00070 (Beilstein Handbook Reference)
7-(2,3-Dihydroxypropyl)-1,3-dimethylxanthine
7-(2,3-Dihydroxypropyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
7-(2,3-Dihydroxypropyl)theophylline
7-(2,3-Dioxypropyl)theophylline
7-(beta,gamma-Dihydroxypropyl)theophylline
AFI-Phyllin
Aristophyllin
Asthmolysin
Asthmolysine
Astmamasit
Astrophyllin
BRN 0284563
Circain
Circair
COR-theophylline
Coronal
Coronarin
Corphyllin
Dihydroxypropyl Theophylline
Dihydroxypropyl Theopylin (german)
Diphyllin
Diphyllin (VAN)
Diphylline
Diprofilina
Diprofillin
Diprofillina
Diprofilline
Diprophyllin
Diprophylline
Diprophyllinum
Dipropylline
Droxine
Dyflex
Dyphylline
EINECS 207-526-1
Glyfyllin
Glyphyllin
Glyphylline
Glyphyllinum
Hidroxiteofillina
Hiphyllin
HSDB 3322
Hyphylline
Isophyllen
Liactemin
Lufyllin
Neo-vasophylline
Neophyl
Neophyllin
Neophyllin M
Neophylline
Neostenovasan
Neothylline
Neotilina
Neufil
Neutrafil
Neutrafillina
Neutraphyllin
Neutraphylline
Neutroxantina
NSC 14305
Propyphyllin
Protheophylline
Purifilin
Silbephyllin
Silbephylline
Solufilin
Solufyllin
Soluphyllin
Synthophylline
Tefilan
Teofen
Tesfen
Theal
Theal Ampules
Thefylan
Theophylline, 7-(2,3-dihydroxypropyl)-
ATC R03DA01
CID 3182
CAS 000479185
Drugbank ID DB00277
TTD Drug ID DAP000596
SMILES CN1C(=O)N(C)C2=C(N(C[C@H](O)CO)C=N2)C1=O
Formula C10H14N4O4
Molweight 254.243
Atoms 18
LogP -2.2131
Rotatable Bonds 3
H-Bond Donors 0
H-Bond Acceptors 5
Extrarenal fraction 0.04
Elimination half-life 2h
Choline Theophyllinate

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Information Structure
Name Choline theophyllinate
Synonyms
(2-Hydroxyethyl)trimethylammonium Compound With Theophylline
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-, Ion(1-), 2-hydroxy-N,N,N-trimethylethanaminium
Choledyl
Choledyl SA 400
Cholegyl
Choline Salt With Theophylline (1:1)
Choline Theophyllinate
Choline Theophylline Salt
Cholini Theophyllinas
Cholinophyllin
Cholinophylline
Colina Teofillinato
EINECS 224-798-7
Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, Salt With 3,7-dihydro-1,3-dimethylpurine-2,6-dione
Filoral
Oxtrimethylline
Oxtriphylline
Sabidal
Soliphylline
Teofilcolina
Teofilinato De Colina
Teokolin
Theophyllinate De Choline
Theophylline Cholinate
Theophylline Salt Of Choline
Theophylline, Compd. With Choline
Theoxylline
Zy 15061
ATC R03DA02
CID 20585
CAS 004499405
SMILES C[N+](C)(C)CCO
Formula C12H22N5O3
Molweight 284.335
Atoms 20
LogP -1.3548
Rotatable Bonds 2
H-Bond Donors 0
H-Bond Acceptors 5
Proxyphylline

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Information Structure
Name Proxyphylline
Synonyms
1,3-Dimethyl-7-(2-hydroxypropyl)xanthine
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-hydroxypropyl)-
2-Hydroxypropyl-7-theophylline
3,7-Dihydro-7-(2-hydroxypropyl)-1,3-dimethyl-1H-purine-2,6-dione
7-(2-Hydroxypropyl)theophylline
7-(beta-Hydroxypropyl)-1,3-dimethylxanthine
7-(beta-Hydroxypropyl)theophylline
beta-Oxypropyltheophyllin
Brontyl
EINECS 210-028-7
Hydroxypropyltheophylline
Monophylline
MT
NSC 163343
Oxypropyltheophylline
Proxifilina
Proxiphylline
Proxiphyllinum
Proxy-Retardoral
Proxyphylline
Proxyphyllinum
Purophyllin
Sanwaphyllin
Sigophyl
Spasmolysin
Thean
Theoden
Theon
ATC R03DA03
CID 4977
CAS 000603009
SMILES C[C@@H](O)CN1C=NC2=C1C(=O)N(C)C(=O)N2C
Formula C10H14N4O3
Molweight 238.243
Atoms 17
LogP -1.1855
Rotatable Bonds 2
H-Bond Donors 0
H-Bond Acceptors 4
Theophylline

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Information Structure
Name Theophylline
Synonyms
1,3-Dimethylxanthine
3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione
Accurbron
Acet-theocin
Aerolate
Aerolate III
AI3-50216
Armophylline
Asmax
Austyn
Bronkodyl
Bronkodyl SR
CCRIS 4729
Choledyl SA
Constant-T
Diphyllin
Doraphyllin
Duraphyl
EINECS 200-385-7
Elixex
Elixicon
Elixophyllin
Elixophylline
Euphylong
GS 2591A
HSDB 3399
Lanophyllin
Liquophylline
Maphylline
Medaphyllin
NSC 2066
Nuelin
Optiphyllin
Parkophyllin
Pseudotheophylline
Purine-2,6(1H,3H)-dione, 1,3-dimethyl-
Quibron T/SR
Quibron-T
Respbid
Slo-bid
Slo-Phyllin
Solosin
Somophyllin-DF
Somophyllin-t
Spophyllin Retard
Sustaire
Synophylate
Synophylate-L.A. Cenules
Teofilina
Teofyllamin
Teolair
Theacitin
Theal Tablets
Theo-11
Theo-24
Theo-Dur
Theo-Dur-Sprinkle
Theobid
Theochron
Theocin
Theoclair-SR
Theoclear 80
Theoclear LA
Theocontin
Theofol
Theograd
Theolair
Theolix
Theophyl-225
Theophyllin
Theophylline
Theophylline Anhydrous
Theophylline, Anhydrous
Theostat 80
Theovent
Uniphyl
Uniphyllin
X 115
Xanthine, 1,3-dimethyl-
Xantivent
ATC R03DA04
CID 2153
CAS 000058559
Drugbank ID DB00277
TTD Drug ID DAP000002
SMILES CN1C(=O)N(C)C2=C(NC=N2)C1=O
Formula C7H8N4O2
Molweight 180.164
Atoms 13
LogP -1.0397
Rotatable Bonds 0
H-Bond Donors 0
H-Bond Acceptors 4
CYP interactions
NameRelationsReferences
1A1Substrate Inhibitor 8474022
7619675
1A2Substrate Inhibitor 7619675
9690950
10219964
9152602
9485522
15970798
11069211
10976659
8474022
1B1Substrate 9152602
2C8Substrate umm
2C9Substrate umm
2D6Substrate 7632164
7619675
7619675
2E1Substrate 7619675
12699383
7619675
3A4Substrate umm
7632164
Phase2 interactions
NameReferences
NAT 658363
Transporter
AC-No.NameReferences
Q9Y694Solute carrier family 22 member 715708966
Extrarenal fraction 0.85
Elimination half-life 9h
Aminophylline

Java required.


Information Structure
Name Aminophylline
Synonyms
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-, Compd With 1,2-ethanediamine (2:1)
3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione Compd. With 1,2-ethanediamine (2:1)
Aminocardol
Aminodur
Aminodur Dura-tabs
Aminofilina
Aminofillina
Aminophyllin
Aminophylline
Aminophyllinum
Ammophyllin
BY 108
Cardiofilina
Cardiomin
Cardophylin
Cardophyllin
Carena
Cariomin
Diaphilline
Diaphylline
Diophllin
Diophyllin
Diuxanthine
DOBO
Dura-Tab S.M. Aminophylline
Dura-tab Sm Aminophylline
EINECS 206-264-5
Ethophylline
Ethylenediamine, Compd. With Theophylline (1:2)
Etilen-xantisan Tabl.
Eufilina
Euphyllin
Euphylline
Euphyllinum
Eurphyllin
Euufilin
Euufillin
Genophyllin
Grifomin
HSDB 221
Inophylline
Lasodex
Linampheta
Lixaminol
Metaphyllin
Metaphylline
Methophylline
Minaphil
Miofilin
Neophyiline
Neophylline
Norofilina
NSC 7919
Peterphyllin
Phylcardin
Phyllindon
Phyllocontin
Rectalad Aminophylline
Rectalad-aminophylline
Somophyllin
Somophyllin O
Stenovasan
Syntophyllin
TAD
Tefamin
TH/100
Theodrox
Theolamine
Theolone
Theomin
Theophyldine
Theophyline Ethylenediamine
Theophyllamine
Theophyllaminium
Theophyllaminum
Theophyllin Aethylendiamin
Theophyllin Ethylenediamine
Theophylline Compound With Ethylenediamine
Theophylline Compound With Ethylenediamine (2:1)
Theophylline Ethylenediamine
Theophylline, Compd With Ethylenediamine (2:1)
Theophyllinum Et Ethylendiaminum
Thephyldine
Variaphylline
Vasofilina
ATC R03DA05
CID 9433
CAS 000317340
Drugbank ID DB01223
TTD Drug ID DAP000613
SMILES CN1C(=O)N(C)C2=C(NC=N2)C1=O
Formula C16H24N10O4
Molweight 420.426
Atoms 30
LogP -1.775
Rotatable Bonds 1
H-Bond Donors 0
H-Bond Acceptors 10
CYP interactions
NameRelationsReferences
1A2Substrate umm
9855322
2E1Substrate umm
3A4Substrate umm
Phase2 interactions
NameReferences
NAT 8520468,
11078632
Transporter
AC-No.NameReferences
Q9Y694Solute carrier family 22 member 715708966
Extrarenal fraction 0.85
Elimination half-life 9h
Etamiphylline

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Information Structure
Name Etamiphylline
Synonyms
1,3-Dimethyl-7-(2-(diethylamino)ethyl)xanthine
4-26-00-02409 (Beilstein Handbook Reference)
7-(2-(Diethylamino)ethyl)-1,3-dimethylxanthine
7-(2-(Diethylamino)ethyl)theophylline
7-(Diethylaminoethyl)theophylline
BRN 0291098
Camphophyline
Corafil
Diaethylaminoaethyl-theophyllin
Diethylaminoethyl Theophylline
Diethylaminoethyltheophylline
EINECS 206-244-6
Etamifilina
Etamifillina
Etaminophylline
Etamiphyllin
Etamiphylline
Etamiphyllinum
Milliphylline
Millophylline
NSC 38348
Parephyllin
Queryl
R-3588
Solufilina
Soluphyline
ATC R03DA06
CID 28329
CAS 000314352
SMILES CCN(CC)CCN1C=NC2=C1C(=O)N(C)C(=O)N2C
Formula C13H21N5O2
Molweight 279.338
Atoms 20
LogP -0.2245
Rotatable Bonds 5
H-Bond Donors 0
H-Bond Acceptors 4
Transporter
AC-No.NameReferences
Q9Y694Solute carrier family 22 member 715708966
Theobromine

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Information Structure
Name Theobromine
Synonyms
1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-
3,7-Dihydro-3,7-dimethyl-1H-purine-2,6-dione
3,7-Dimethylxanthine
5-26-13-00553 (Beilstein Handbook Reference)
BRN 0016464
CCRIS 2350
Diurobromine
EINECS 201-494-2
FEMA No. 3591
NSC 5039
Santheose
SC 15090
Teobromin
Theobromine
Theobromine (natural)
Theosalvose
Theostene
Thesal
Thesodate
Xanthine, 3,7-dimethyl-
ATC C03BD01
R03DA07
CID 5429
CAS 000083670
Drugbank ID DB01412
SMILES CN1C=NC2=C1C(=O)NC(=O)N2C
Formula C7H8N4O2
Molweight 180.164
Atoms 13
LogP -1.0397
Rotatable Bonds 0
H-Bond Donors 0
H-Bond Acceptors 4
CYP interactions
NameRelationsReferences
1A2Substrate 10215755
2E1Substrate 10215755
10215755
Transporter
AC-No.NameReferences
Q9Y694Solute carrier family 22 member 715708966
Bamifylline

Java required.


Information Structure
Name Bamifylline
Synonyms
Bamifilina
Bamifyllin
Bamifylline
Bamifyllinum
ATC R03DA08
CID 16229
CAS 002016639
SMILES CCN(CCO)CCN1C(CC2=CC=CC=C2)=NC3=C1C(=O)N(C)C(=O)N3C
Formula C20H27N5O3
Molweight 385.46
Atoms 28
LogP 0.3387
Rotatable Bonds 8
H-Bond Donors 0
H-Bond Acceptors 5
Transporter
AC-No.NameReferences
Q9Y694Solute carrier family 22 member 715708966
Acefylline Piperazine

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Information Structure
Name Acefylline piperazine
Synonyms
1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetic Acid Compd. With Piperazine
Acefilina Piperazina
Acefillina Piperazina
Acefyllin Piperazinate
Acefylline Piperazine
Acefylline Piperazine Salt
Acefyllinpiperazinum
Acefyllinum Piperazinum
Acepifylline
Aethaphyllinium
Dynaphylline
EINECS 242-614-3
Etafillina
Etaphydel
Etaphylline
Etophylate
Minophylline
Piperazine 7-theophyllineacetate
Piperazine Theophylline Ethanoate
Piperazine Theophyllineacetate
ATC R03DA09
CID 6453414
CAS 018833131
SMILES CN1C(=O)N(C)C2=C(N(CC(O)=O)C=N2)C1=O
Formula C13H20N6O4
Molweight 324.336
Atoms 23
LogP -1.6449
Rotatable Bonds 2
H-Bond Donors 0
H-Bond Acceptors 7
Transporter
AC-No.NameReferences
Q9Y694Solute carrier family 22 member 715708966
Bufylline

Java required.


Information Structure
Name Bufylline
Synonyms
1-Propanol, 2-amino-2-methyl-, Compd. With Theophylline (1:1)
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-, Compd. With 2-amino-2-methyl-1-propanol (1:1)
Ambuphylline
Bufylline
Butaphyllamine
Buthoid
EINECS 227-077-5
Theophylline Aminoisobutanol
Theophylline Compound With 2-amino-2-methyl-1-propanol (1:1)
ATC R03DA10
CID 21850
CAS 005634344
SMILES CN1C(=O)N(C)C2=C(NC=N2)C1=O
Formula C11H19N5O3
Molweight 269.3
Atoms 19
LogP -0.6234
Rotatable Bonds 1
H-Bond Donors 0
H-Bond Acceptors 6
Transporter
AC-No.NameReferences
Q9Y694Solute carrier family 22 member 715708966
Doxofylline

Java required.


Information Structure
Name Doxofylline
Synonyms
2-(7-Teofillinmetil)-1,3-diossolano
2-(7-Theophyllinemethyl)-1,3-dioxolane
5-26-14-00120 (Beilstein Handbook Reference)
7-(1,3-Dioxolan-2-ylmethyl)theophylline
7-(1,3-Dioxolon-2-ylmethyl)-1,2,3,6-tetrahydro-1,3-dimethyl-2,6-purindion
ABC 12/3
Ansimar
BRN 0561195
Dioxyfilline
Doxofilina
Doxofylline
Doxofyllinum
Doxophylline
EINECS 274-239-6
Maxivent
Ventax
ATC R03DA11
CID 50942
CAS 069975866
SMILES CN1C(=O)N(C)C2=C(N(C[C@H]3OCCO3)C=N2)C1=O
Formula C11H14N4O4
Molweight 266.253
Atoms 19
LogP -1.1934
Rotatable Bonds 2
H-Bond Donors 0
H-Bond Acceptors 5
Transporter
AC-No.NameReferences
Q9Y694Solute carrier family 22 member 715708966