Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00627
|
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| Drug Name |
Acebutolol
|
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| Synonyms |
(+-)-3'-Acetyl-4'-(2-hydroxy-3-(isopropylamino)propoxy)butyranilide; (+-)-Acebutolol; (+-)-N-(3-Acetyl-4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)butanamide; 1-(2-Acetyl-4-n-butyramidophenoxy)-2-hydroxy-3-isopropylaminopropane; 3'-(Acetyl-4'-(2-hydroxy-3-(isopropylamino)propoxy)butyranilide; 3'-Acetyl-4'-(2-hydroxy-3-(isopropylamino)propoxy)butyranilide; 3'-Acetyl-4'-(2-hydroxy-3-isopropylaminopropoxy)butyranilid; 5'-Butyramido-2'-(2-hydroxy-3-isopropylaminopropoxy)acetophenone; Acebrutololum; Acebrutololum [INN-Latin]; Acebutolol (USAN/INN); Acebutolol HCL; Acebutolol [USAN:INN:BAN]; Acebutololo; Acebutololum; Acebutololum [INN-Latin]; Acetobutolol; Acetobutolol [INN-Spanish]; Dl-Acebutolol; M & B 17803A; M&B-17803 A; N-(3-Acetyl-4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl)butanamide; N-[3-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]butanamide; N-[3-acetyl-4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]butanamide; N-{3-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}butanamide; Neptal; Prent; Prent (TN); RP 21823; Sectral; Sectral (TN)
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| Drug Type |
Small molecular drug
|
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| Indication | High blood pressure [ICD11:BA00] | Approved | [1] | |||
| Ventricular premature beats [ICD11:BC70] | Approved | [1] | ||||
| Therapeutic Class |
Antihypertensive Agents
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| Structure |
|
 |
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| 3D MOL | 2D MOL | |||||
| Formula |
C18H28N2O4
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| Canonical SMILES |
CCCC(=O)NC1=CC(=C(C=C1)OCC(CNC(C)C)O)C(=O)C
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| InChI |
InChI=1S/C18H28N2O4/c1-5-6-18(23)20-14-7-8-17(16(9-14)13(4)21)24-11-15(22)10-19-12(2)3/h7-9,12,15,19,22H,5-6,10-11H2,1-4H3,(H,20,23)
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| InChIKey |
GOEMGAFJFRBGGG-UHFFFAOYSA-N
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| CAS Number |
CAS 37517-30-9
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| Pharmaceutical Properties | Molecular Weight | 336.4 | Topological Polar Surface Area | 87.7 | ||
| Heavy Atom Count | 24 | Rotatable Bond Count | 10 | |||
| Hydrogen Bond Donor Count | 3 | Hydrogen Bond Acceptor Count | 5 | |||
| XLogP |
1.7
|
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| PubChem CID | ||||||
| PubChem SID |
103189011
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,10520758
,11335787
,11361026
,11363385
,11365947
,11368509
,11371586
,11374422
,11376671
,11461998
,11466097
,11467217
,11485235
,11485914
,11489156
,11490389
,11492617
,11494305
,124883487
,126443068
,126679412
,127982055
,134337777
,134999047
,15075320
,29221166
,46509113
,47216767
,47216768
,47291119
,47365171
,47365172
,47440234
,47810742
,49698901
,49895324
,50427938
,5199954
,56413043
,57321077
,7849397
,7978630
,8148212
,8151358
,85209697
,85787903
,9022
,99222788
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| ChEBI ID |
ChEBI:2379
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | 1-Oct | Transporter Info | Organic cation transporter 1 | Substrate | [2] | |
| OATP1A2 | Transporter Info | Organic anion transporting polypeptide 1A2 | Substrate | [3] | ||
| P-GP | Transporter Info | P-glycoprotein 1 | Substrate | [4] | ||
| References | ||||||
| 1 | Acebutolol was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019) | |||||
| 2 | Implications of genetic polymorphisms in drug transporters for pharmacotherapy. Cancer Lett. 2006 Mar 8;234(1):4-33. | |||||
| 3 | Fruit juice inhibition of uptake transport: a new type of food-drug interaction. Br J Clin Pharmacol. 2010 Nov;70(5):645-55. | |||||
| 4 | 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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