Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR01344
|
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| Drug Name |
Nalbuphine
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| Synonyms |
Intapan; Nalbufina; Nalbuphinum; Intapan (TN); Nalbuphine (INN); Nubain (TN); (5alpha,6alpha)-17-(cyclobutylmethyl)-4,5-epoxymorphinan-3,6,14-triol; 17-cyclobutylmethyl-4,5alpha-epoxymorphinan-3,6alpha,14-triol
|
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| Drug Type |
Small molecular drug
|
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| Indication | Pain [ICD11:MG30-MG7Z] | Approved | [1] | |||
| Therapeutic Class |
Analgesics
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| Structure |
|
 |
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| 3D MOL | 2D MOL | |||||
| Formula |
C21H27NO4
|
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| Canonical SMILES |
C1CC(C1)CN2CCC34C5C(CCC3(C2CC6=C4C(=C(C=C6)O)O5)O)O
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| InChI |
InChI=1S/C21H27NO4/c23-14-5-4-13-10-16-21(25)7-6-15(24)19-20(21,17(13)18(14)26-19)8-9-22(16)11-12-2-1-3-12/h4-5,12,15-16,19,23-25H,1-3,6-11H2/t15-,16+,19-,20-,21+/m0/s1
|
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| InChIKey |
NETZHAKZCGBWSS-CEDHKZHLSA-N
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| CAS Number |
CAS 20594-83-6
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| Pharmaceutical Properties | Molecular Weight | 357.4 | Topological Polar Surface Area | 73.2 | ||
| Heavy Atom Count | 26 | Rotatable Bond Count | 2 | |||
| Hydrogen Bond Donor Count | 3 | Hydrogen Bond Acceptor Count | 5 | |||
| XLogP |
0.2
|
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| PubChem CID | ||||||
| PubChem SID |
9460
,7980064
,11056425
,11466146
,11467266
,11485811
,14828107
,14828108
,39341002
,46507383
,47216707
,47291070
,48110387
,48259160
,48416304
,49698355
,50968490
,56464121
,57359427
,85787879
,92308840
,93166218
,96024934
,103234668
,104000882
,124893623
,126666056
,127291528
,127291529
,127291530
,127291531
,127291532
,127291533
,128691869
,134223042
,134337690
,134993850
,135650680
,137005112
,139813937
,144205561
,164230822
,164763215
,175267073
,176484045
,179116802
,223663773
,223893850
,226395880
,252354412
|
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| ChEBI ID |
ChEBI:7454
|
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | P-GP | Transporter Info | P-glycoprotein 1 | Substrate | [2] | |
| References | ||||||
| 1 | Nalbuphine was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019) | |||||
| 2 | Passive permeability and P-glycoprotein-mediated efflux differentiate central nervous system (CNS) and non-CNS marketed drugs. J Pharmacol Exp Ther. 2002 Dec;303(3):1029-37. | |||||
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