Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00725
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| Drug Name |
L-citrulline
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| Synonyms |
(2S)-2-amino-5-(carbamoylamino)pentanoic acid; (S)-2-Amino-5-ureidopentanoic acid; 2-Amino-5-ureidovaleric acid; 372-75-8; Citrulline; Citrulline, L-; H-cit-oh; L(+)-citrulline; L-(+)-Citrulline; L-2-Amino-5-ureidovaleric acid; L-Cytrulline; L-Ornithine, N5-(aminocarbonyl)-; L-citrullin; N(delta)-Carbamylornithine; N5-(Aminocarbonyl)ornithine; N5-Carbamoyl-L-ornithine; N5-carbamoylornithine; Ornithine, N5-(aminocarbonyl)-; Sitrulline; alpha-Amino-delta-ureidovaleric acid; d-ureidonorvaline; delta-Ureidonorvaline
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| Drug Type |
Small molecular drug
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| Indication | Congenital heart defects [ICD11:LA8Z] | Phase 3 | [1] | |||
| Structure |
|
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| 3D MOL | 2D MOL | |||||
| Formula |
C6H13N3O3
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| Canonical SMILES |
C(CC(C(=O)O)N)CNC(=O)N
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| InChI |
InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1
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| InChIKey |
RHGKLRLOHDJJDR-BYPYZUCNSA-N
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| CAS Number |
CAS 372-75-8
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| Pharmaceutical Properties | Molecular Weight | 175.19 | Topological Polar Surface Area | 118 | ||
| Heavy Atom Count | 12 | Rotatable Bond Count | 5 | |||
| Hydrogen Bond Donor Count | 4 | Hydrogen Bond Acceptor Count | 4 | |||
| XLogP |
-4.3
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| PubChem CID | ||||||
| PubChem SID |
103590387
,103822856
,104179172
,104321397
,11532235
,117541475
,117688788
,118262351
,124570894
,126523666
,126596840
,126596898
,126630014
,126656479
,129129178
,131542198
,132523304
,134974821
,135650512
,137003163
,137237572
,140948627
,142367638
,15195082
,15219582
,24892975
,26716699
,26754401
,29203971
,29228316
,3132518
,3621
,46506583
,47291304
,50069751
,51092003
,57325798
,57580897
,57580924
,75891871
,7886615
,81044522
,8144684
,8157014
,821526
,824126
,85164881
,87565504
,92297486
,92712847
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| ChEBI ID |
CHEBI:16349
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | BAT1 | Transporter Info | Glycoprotein-associated amino acid transporter b0, +AT1 | Substrate | [2] | |
| References | ||||||
| 1 | ClinicalTrials.gov (NCT00335244) Intravenous L-Citrulline to Treat Children Undergoing Heart Bypass Surgery | |||||
| 2 | Transport characteristics of L-citrulline in renal apical membrane of proximal tubular cells. Biopharm Drug Dispos. 2009 Apr;30(3):126-37. | |||||
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