Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR01499
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| Drug Name |
Azasetron
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| Synonyms |
Azasetron; Nazasetron; Azasetron [INN]; C17H20ClN3O3; 123039-99-6; WUKZPHOXUVCQOR-UHFFFAOYSA-N; Azasetron (INN); 6-Chloro-4-methyl-3-oxo-N-(quinuclidin-3-yl)-3,4-dihydro-2H-benzo[b][1,4]oxazine-8-carboxamide; NCGC00024563-02; DSSTox_RID_81029; DSSTox_CID_25651; DSSTox_GSID_45651; (- )-6-Chloro-3,4-dihydro-4-methyl-3-oxo-N-3-quinuclidinyl-2H-1,4-benzoxazine-8-carboxamide; N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide
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| Drug Type |
Small molecular drug
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| Indication | Nausea and vomiting [ICD11:MD90] | Approved | [1] | |||
| Structure |
|
 |
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| 3D MOL | 2D MOL | |||||
| Formula |
C17H20ClN3O3
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| Canonical SMILES |
CN1C(=O)COC2=C(C=C(C=C21)Cl)C(=O)NC3CN4CCC3CC4
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| InChI |
InChI=1S/C17H20ClN3O3/c1-20-14-7-11(18)6-12(16(14)24-9-15(20)22)17(23)19-13-8-21-4-2-10(13)3-5-21/h6-7,10,13H,2-5,8-9H2,1H3,(H,19,23)
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| InChIKey |
WUKZPHOXUVCQOR-UHFFFAOYSA-N
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| CAS Number |
CAS 123039-99-6
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| Pharmaceutical Properties | Molecular Weight | 349.8 | Topological Polar Surface Area | 61.9 | ||
| Heavy Atom Count | 24 | Rotatable Bond Count | 2 | |||
| Hydrogen Bond Donor Count | 1 | Hydrogen Bond Acceptor Count | 4 | |||
| XLogP |
1.6
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| PubChem CID | ||||||
| PubChem SID |
4503337
,8151522
,14900802
,26751695
,29221437
,47437793
,48407470
,49830627
,50064274
,50064275
,51091806
,57321227
,77940238
,85787806
,103848318
,104300087
,117466756
,119525144
,124886910
,124886911
,126669656
,129635800
,135157445
,135649974
,136933682
,137249308
,137267099
,142183976
,144204457
,152103821
,160824111
,162180413
,163092086
,170466158
,179149724
,179565728
,184545075
,184557777
,204383376
,223656708
,226407307
,238185794
,249979213
,252358890
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| ChEBI ID |
CHEBI:91712
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | P-GP | Transporter Info | P-glycoprotein 1 | Substrate | [2] | |
| References | ||||||
| 1 | National Center for Advancing Translational Science-Inxight: drug (77HC7URR9Z) | |||||
| 2 | Human intestinal transporter database: QSAR modeling and virtual profiling of drug uptake, efflux and interactions. Pharm Res. 2013 Apr;30(4):996-1007. | |||||
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