Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00314
|
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| Drug Name |
Betaine
|
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| Synonyms |
Cystadane
|
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| Drug Type |
Small molecular drug
|
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| Indication | Inborn error of metabolism [ICD11:5D2Z] | Approved | [1] | |||
| Structure |
|
 |
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| 3D MOL | 2D MOL | |||||
| Formula |
C5H11NO2
|
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| Canonical SMILES |
C[N+](C)(C)CC(=O)[O-]
|
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| InChI |
InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3
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| InChIKey |
KWIUHFFTVRNATP-UHFFFAOYSA-N
|
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| CAS Number |
CAS 107-43-7
|
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| Pharmaceutical Properties | Molecular Weight | 117.15 | Topological Polar Surface Area | 40.1 | ||
| Heavy Atom Count | 8 | Rotatable Bond Count | 1 | |||
| Hydrogen Bond Donor Count | 0 | Hydrogen Bond Acceptor Count | 2 | |||
| XLogP |
0.5
|
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| PubChem CID | ||||||
| PubChem SID |
103345809
,104294280
,10503467
,11537950
,118309370
,12075420
,124441569
,124893590
,124893591
,125311874
,125337431
,126522973
,126645772
,126675693
,126676616
,15297109
,2165
,24438624
,24848564
,24851128
,24882186
,24891511
,24891663
,3138572
,3985
,4422026
,46475638
,48415626
,49893456
,50123261
,51072627
,51091846
,53789902
,562302
,57320071
,57647743
,57651874
,58009761
,588253
,7978780
,80573870
,8145492
,8150529
,841599
,85084160
,85164915
,85175607
,87563491
,91689506
,93617181
|
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| ChEBI ID |
CHEBI:17750
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | BGT1 | Transporter Info | Na(+)/Cl(-) betaine/GABA transporter | Substrate | [2] | |
| References | ||||||
| 1 | Betaine was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019) | |||||
| 2 | Deletion of the betaine-GABA transporter (BGT1; slc6a12) gene does not affect seizure thresholds of adult mice. Epilepsy Res. 2011 Jun;95(1-2):70-81. | |||||
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