Compound - Results

Pentifylline

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Information Structure
Name Pentifylline
Synonyms
1-Hexyl-3,7-dimethylxanthine
1-Hexyltheobromine
3,7-Dimethyl-1-hexyl-1H,3H-purin-2,6-dione
4-26-00-02351 (Beilstein Handbook Reference)
BRN 0270632
Cosadon
Cosaldon
EINECS 213-842-0
Hexyltheobromine
Pentifilina
Pentifyllin
Pentifylline
Pentifyllinum
SK 7
SK 7 (Pharmaceutical)
Theobromine, 1-hexyl-
ATC C04AD01
N06DX16
CID 70569
CAS 001028337
SMILES CCCCCCN1C(=O)N(C)C2=C(N(C)C=N2)C1=O
Formula C13H20N4O2
Molweight 264.323
Atoms 19
LogP 1.014
Rotatable Bonds 5
H-Bond Donors 0
H-Bond Acceptors 3
Xantinol Nicotinate

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Information Structure
Name Xantinol nicotinate
Synonyms
7- 2-Hydroxy-3-((2-hydroxyethyl)methylamino)propyl Theophylline, Compound With Nicotinic Acid (1:1)
7-(2-Hydroxy-3-((2-hydroxyethyl)methylamino)propyl)theophylline Compd. With Nicotinic Acid
7-(3-(N-(2-Hydroxyethyl)amino)-2-hydroxypropyl)thiophylline Nicotinate
Angioamin
Angiomin
Complamex
Complamin
Complamin Retard
Contamex
EINECS 207-115-7
Landrina
Methoxylin, Compd. With Nicotinic Acid
Nicotinate De Xantinol
Nicotinato De Xantinol
NSC 113217
Sadamin
Sadamine
SK 331 A
Stenalgil
Teonicol
Vedrin
Xanidil
Xanthinol Niacinate
Xanthinol Nicotinate
Xanthinolium Nicotinicum
Xantinol Nicotinate
Xantinoli Nicotinas
Xantinolnicotinat
Xantinolo Nicotinato
Xavin
ATC C04AD02
C10AD08
N06DX15
CID 9912
CAS 000437741
SMILES CN(CCO)C[C@@H](O)CN1C=NC2=C1C(=O)N(C)C(=O)N2C
Formula C19H26N6O6
Molweight 434.446
Atoms 31
LogP -1.5015
Rotatable Bonds 7
H-Bond Donors 0
H-Bond Acceptors 9
Pentoxifylline

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Information Structure
Name Pentoxifylline
Synonyms
1,2,3,6-Tetrahydro-3,7-dimethyl-1-(5-oxohexyl)-2,6-purindion
1-(5-Oxohexyl)-3,7-dimethylxanthine
1-(5-Oxohexyl)theobromine
3,7-Dihydro-3,7-dimethyl-1-(5-oxohexyl)-1H-purine-2,6-dione
3,7-Dimethyl-1-(5-oxohexyl) Xantine
3,7-Dimethyl-1-(5-oxohexyl)-1H,3H-purin-2,6-dione
3,7-Dimethyl-1-(5-oxohexyl)xanthine
3,7-Dimethyl-1-(5-oxohexyl)xantine
5-26-14-00081 (Beilstein Handbook Reference)
BL 191
BRN 0558929
CCRIS 6832
Dimethyloxohexylxanthine
DRG-0117
EHT 0201
EINECS 229-374-5
Oxpentifylline
Pentoxifilina
Pentoxifyllin
Pentoxifylline
Pentoxifyllinum
Pentoxiphyllium
Pentoxyfylline
Pentoxyphylline
Theobromine, 1-(5-oxohexyl)-
Trental
Vazofirin
ATC C04AD03
CID 4740
CAS 006493056
Drugbank ID DB00806
TTD Drug ID DAP000048
SMILES CN1C=NC2=C1C(=O)N(CCCCC(C)=O)C(=O)N2C
Formula C13H18N4O3
Molweight 278.307
Atoms 20
LogP 0.193
Rotatable Bonds 5
H-Bond Donors 0
H-Bond Acceptors 4
CYP interactions
NameRelationsReferences
1A2Substrate 9394024
Extrarenal fraction 1
Elimination half-life 1.5h
Etofylline Nicotinate

Java required.


Information Structure
Name Etofylline nicotinate
Synonyms
EINECS 236-544-2
Etofylline Nicotinate
ATC C04AD04
CID 83435
CAS 013425393
SMILES CN1C(=O)N(C)C2=C(N(CCOC(=O)C3=CC=CN=C3)C=N2)C1=O
Formula C15H15N5O4
Molweight 329.311
Atoms 24
LogP -0.3143
Rotatable Bonds 5
H-Bond Donors 0
H-Bond Acceptors 6