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| CAS Number | 519-37-9 |
| Catalog Number | AG003NC4(AGN-PC-0JK61O) |
| Chemical Name | Etofylline |
| EC Number | 208-269-8 |
| IUPAC Name | 7-(2-hydroxyethyl)-1,3-dimethylpurine-2,6-dione |
| InChI | InChI=1S/C9H12N4O3/c1-11-7-6(8(15)12(2)9(11)16)13(3-4-14)5-10-7/h5,14H,3-4H2,1-2H3 |
| InChI Key | NWPRCRWQMGIBOT-UHFFFAOYSA-N |
| MDL Number | MFCD00055055 |
| Molecular Formula | C9H12N4O3 |
| Molecular Weight | 224.2166 |
| NSC Number | 113373 |
| SMILES | O=C(N1C)N(C)C2=C(N(CCO)C=N2)C1=O |
| UNII | L164909TBI |
| Synonyms | 7-(2-hydroxyethyl)theophylline,
aethophyllinum,
beta-hydroxyethyltheophylline,
etofylline,
etophyllin,
etophylline,
oxyethyltheophylline,
Oxyphylline,
Soluphylline,
ETOFYLLINE,
519-37-9,
7-(2-Hydroxyethyl)theophylline,
Aethophyllinum,
Oxyphylline,
Cordalin,
Ascorphylline,
Dilaphyllin,
Oxytheonyl,
Oxyethyltheophylline,
Frekaphyllin,
Sklerodormal,
Soluphylline,
Bio-phylline,
Phyllocormin N,
Corophyllin-N,
Oxphylline (amido),
1,3-Dimethyl-7-(2-hydroxyethyl)xanthine,
Oxyetophyllinum,
7-Theophyllineethanol,
7-(Hydroxyethyl)theophylline,
Hydroxyethyl theophylline,
Theophylline, 7-(2-hydroxyethyl)-,
7-hydroxyethyltheophylline,
Oxyaethyltheophyllin,
Etofillina [DCIT],
Hydroxyethyltheophylline,
Etofylline [INN:BAN],
Etofilina [INN-Spanish],
Etofyllinum [INN-Latin],
7-(2-Hydroxyethyl)-1,3-dimethylxanthine,
beta-hydroxyethyltheophylline,
Oxyaethyltheophyllin [German],
NSC 113373,
UNII-L164909TBI,
C9H12N4O3,
BETA-HYDROXYETHYL THEOPHYLLINE,
EINECS 208-269-8,
7-(2-Hydroxyethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione,
CHEMBL699,
7-(2-hydroxyethyl)-1,3-dimethylpurine-2,6-dione,
BRN 0251760,
MLS000115542,
7-(2'-Hydroxyethyl)theophylline,
NWPRCRWQMGIBOT-UHFFFAOYSA-N,
L164909TBI,
1H-Purine-2,6-dione, 3,7-dihydro-7-(2-hydroxyethyl)-1,3-dimethyl-,
7-(.beta.-Hydroxyethyl)theophylline,
7-(2-hydroxyethyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione,
MFCD00055055,
NCGC00016479-06,
7-(beta-HYDROXYETHYL)-THEOPHYLLINE,
CAS-519-37-9,
SMR000058179,
3,7-Dihydro-7-(2-hydroxyethyl)-1,3-dimethyl-1H-purine-2,6-dione,
7-(2-Hydroxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione,
DSSTox_CID_3031,
DSSTox_RID_76839,
DSSTox_GSID_23031,
etophylline,
Etofillina,
Etofyllinum,
Oxphylline,
Etofilina,
7-(2-hydroxyethyl)-1,3-dimethyl-1,3,7-trihydropurine-2,6-dione,
Oxyphyllin (TN),
Etofylline (INN),
Prestwick_210,
Spectrum_000319,
ACMC-209kws,
Opera_ID_628,
AC1L1CGR,
Prestwick0_000172,
Prestwick1_000172,
Prestwick2_000172,
Prestwick3_000172,
Spectrum2_001819,
Spectrum3_001711,
Spectrum4_000179,
Spectrum5_001332,
ChemDiv2_005108,
AC1Q3ZH5,
AC1Q3ZH6,
AC1Q6LF3,
Cambridge id 6649214,
BSPBio_000063,
BSPBio_003322,
KBioGR_000697,
KBioSS_000799,
5-26-14-00038 (Beilstein Handbook Reference),
MLS000069731,
BIDD:GT0586,
DivK1c_000052,
SCHEMBL149271,
SPECTRUM2300357,
SPBio_001837,
SPBio_001984,
BPBio1_000071,
DTXSID5023031,
BCBcMAP01_000126,
CHEBI:94764,
CTK8B1810,
HMS500C14,
KBio1_000052,
KBio2_000799,
KBio2_003367,
KBio2_005935,
KBio3_002542,
KS-00000WEU,
ZINC57358,
7-(beta-Hydroxyethyl)theophylline,
NINDS_000052,
HMS1383I04,
HMS1568D05,
HMS2095D05,
HMS2235K09,
HMS3370P21,
HMS3712D05,
Etofylline 1.0 mg/ml in Methanol,
HY-B1209,
Tox21_110447,
ANW-31370,
BDBM50025585,
CCG-39731,
NSC113373,
SBB057458,
STK970528,
AKOS000121416,
Tox21_110447_1,
CS-4837,
GS-6113,
MCULE-9071053702,
NE11081,
NSC-113373,
IDI1_000052,
IDI1_003823,
SMP1_000162,
7-(beta-Hydroxyethyl)theophylline, solid,
NCGC00016479-01,
NCGC00016479-02,
NCGC00016479-03,
NCGC00016479-04,
NCGC00016479-05,
NCGC00016479-07,
NCGC00016479-08,
NCGC00016479-09,
NCGC00016479-11,
NCGC00022341-03,
NCGC00022341-04,
NCGC00178140-01,
NCGC00178140-02,
AJ-09675,
ZB002088,
LS-149582,
AB00052458,
FT-0668429,
ST50409022,
V0304,
WLN: T56 BN DN FNVNVJ B2Q F1 H1,
1,3-Dimethyl-7-( beta-hydroxyethyl-xanthine,
1,3-Dimethyl-7-( beta-hydroxyethyl- xanthine,
D07933,
110298-EP2292621A1,
110298-EP2298305A1,
A828855,
SR-01000000166,
7-(2-hydroxyethyl)-1,3-dimethyl-purine-2,6-dione,
SR-01000000166-3,
W-109548,
BRD-K83064458-001-05-7,
Z112207554,
Etofylline, European Pharmacopoeia (EP) Reference Standard,
1H-Purine-2, 3,7-dihydro-7-(2-hydroxyethyl)-1,3-dimethyl-,
7-(2-Hydroxy-ethyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione,
3,7-dihydro-7-(2-hydroxyethyl)- 1,3-dimethyl-1H-purine-2,6-dione,
3,7-Dihydro-7-(2-hydroxyethyl)-1,3-dimethyl-1H-purine-2,6-dione (9CI),
7-(2-Hydroxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione #,
1H-Purine-2,6-dione, 3,7-dihydro-7-(2-hydroxyethyl)-1,3-dimethyl- (9CI),
Theophylline Related Compound F, United States Pharmacopeia (USP) Reference Standard,
etophyllin,
oxyethophylline,
Ethophylline,
Etofuradine,
Oxyphyllin,
Etofylline [BAN:INN],
D0PB2W,
7-(2-hydroxyethyl)theo-phylline,
CID1892,
AR-1L6656,
C9-H12-N4-O3,
CS-O-11645,
OT,
53622-39-2,
|
| Complexity | 322 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.22g/mol |
| Monoisotopic Mass | 224.091g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.2 |
| Symbol: | |
| Hazard Class | |
| Hazard statements | H302 |
| Packing Group | |
| Precautionary statements | P301+P312+P330 |
| UN Code |
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
| Manufacture Date: | ||
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