Details of the Drug

General Information of Drug (ID: DMHNAJ7)

Drug Name
D-carnitine
Synonyms
(+)-Carnitine; (3S)-3-hydroxy-4-(trimethylammonio)butanoate; (3S)-3-hydroxy-4-(trimethylazaniumyl)butanoate; (S)-3-Hydroxy-4-(trimethylammonio)butanoate; CHEBI:11060; Carnitine D-form; D-(3-Carboxy-2-hydroxypropyl)trimethylammonium hydroxide, inner salt; D-carnitine; U9VY0ZOK7A; UNII-U9VY0ZOK7A
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 161.201
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Chemical Identifiers
Formula
C7H15NO3
IUPAC Name
(3S)-3-hydroxy-4-(trimethylazaniumyl)butanoate
Canonical SMILES
C[N+](C)(C)CC(CC(=O)[O-])O
InChI
InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/t6-/m0/s1
InChIKey
PHIQHXFUZVPYII-LURJTMIESA-N
Cross-matching ID
PubChem CID
2724480
ChEBI ID
CHEMBL503189
CAS Number
541-14-0
VARIDT ID
DR00350
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Transporter (DTP)
DTP Name DTP ID UniProt ID MOA REF
Organic cation/carnitine transporter 2 (SLC22A5) DT3HUVD S22A5_HUMAN Substrate [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Functional and pharmacological characterization of human Na(+)-carnitine cotransporter hOCTN2. Am J Physiol Renal Physiol. 2000 Sep;279(3):F584-91.