Betaine Hydrochloride
PubChem CID: 11545
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| Compound Synonyms | Betaine hydrochloride, 590-46-5, Betaine chloride, Pluchine, Acipepsol, Acidin, Acinorm, Aciventral forte, Betaine HCl, Achylin, Acidogeno, Lycine hydrochloride, Acidol, ACIDINE, Glycine betaine hydrochloride, Glycocoll betain hydrochloride, Acidol hydrochloride, Acidol-Pepsin, (Carboxymethyl)trimethylammonium chloride, Glycocollbetaine hydrochloride, Rubrine C hydrochloride, Betainum muriaticum, Methanaminium, 1-carboxy-N,N,N-trimethyl-, chloride, Clorhidrato de betaina, Glykokollbetain-chlorid, CCRIS 3354, Betaine (hydrochloride), Glykokollbetain-chlorid [German], NSC 3976, NSC-3976, EINECS 209-683-1, JK8U8K4D6K, Betaine hydrochloride [USP], NSC 32191, NSC-32191, Cystdane (TN), carboxymethyl(trimethyl)azanium, chloride, DTXSID0044446, AI3-18301, NSC3976, Ammonium, (carboxymethyl)trimethyl-, chloride, MFCD00011903, 1-Carboxy-N,N,N-trimethylmethanaminium, chloride, Betaine hydrochloride (USP), DTXCID8024446, BETAINUM MURIATICUM [HPUS], NSC32191, BETAINE HYDROCHLORIDE [VANDF], BETAINE HYDROCHLORIDE [MART.], component of Normacid, BETAINE HYDROCHLORIDE [USP-RS], BETAINE HYDROCHLORIDE [WHO-DD], Betaine, hydrochloride, Carboxymethyl-trimethyl-ammonium chloride, BETAINE HYDROCHLORIDE [ORANGE BOOK], BETAINE HYDROCHLORIDE [USP IMPURITY], (Carboxymethyl)trimethylammonium hydrochloride, BETAINE HYDROCHLORIDE [USP MONOGRAPH], component of Acidol-Pepsin, Methanaminium, 1-carboxy-N,N,N-trimethyl-, chloride (1:1), BETAINE HYDROCHLORIDE (MART.), BETAINE HYDROCHLORIDE (USP-RS), Methanaminium,N,N-trimethyl-, chloride, CAS-590-46-5, BETAINE HYDROCHLORIDE (USP IMPURITY), BETAINE HYDROCHLORIDE (USP MONOGRAPH), 1-Carboxy-N,N-trimethylmethanaminium, chloride, NCGC00015150-04, NCGC00094983-01, UNII-JK8U8K4D6K, Cystdane, Acidol pepsin, SR-01000075714, carboxymethyl-trimethyl-azanium chloride, carboxymethyl(trimethyl)ammonium chloride, SCHEMBL59207, 67332-80-3, MLS002153187, CHEMBL1201130, GLXC-10272, HMS2234G11, HMS3260D05, HMS3373G10, Pharmakon1600-01503007, HY-N0739, Tox21_111373, Tox21_302142, Tox21_500172, NSC758207, AKOS015892629, Tox21_111373_1, (carboxymethyl)trimethylazanium chloride, CCG-221476, FB73779, LP00172, NSC-758207, NCGC00093655-01, NCGC00255967-01, NCGC00260857-01, AC-34957, SMR000326733, EU-0100172, 2-hydroxy-2-oxoethyl(trimethyl)azanium chloride, B 3501, D03103, D85123, EN300-7405099, A832132, SR-01000075714-1, SR-01000075714-3, Q27281552, 209-683-1 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Deep Smiles | OC=O)C[N+]C)C)C.[Cl-] |
| Heavy Atom Count | 9.0 |
| Classyfire Class | Carboxylic acids and derivatives |
| Classyfire Subclass | Amino acids, peptides, and analogues |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 93.1 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | carboxymethyl(trimethyl)azanium, chloride |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Gsk 4 400 Rule | True |
| Molecular Formula | C5H12ClNO2 |
| Inchi Key | HOPSCVCBEOCPJZ-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | betaine hydrochloride, pluchine |
| Esol Class | Very soluble |
| Functional Groups | CC(=O)O, C[N+](C)(C)C, [Cl-] |
| Compound Name | Betaine Hydrochloride |
| Exact Mass | 153.056 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 153.056 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 153.61 |
| Gi Absorption | False |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C5H11NO2.ClH/c1-6(2,3)4-5(7)8, /h4H2,1-3H3, 1H |
| Smiles | C[N+](C)(C)CC(=O)O.[Cl-] |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty Acids and Conjugates |
- 1. Outgoing r'ship
FOUND_INto/from Lycium Europaeum (Plant) Rel Props:Reference:ISBN:9788172362461 - 2. Outgoing r'ship
FOUND_INto/from Pluchea Lanceolata (Plant) Rel Props:Reference:ISBN:9788171360536 - 3. Outgoing r'ship
FOUND_INto/from Silybum Marianum (Plant) Rel Props:Reference:ISBN:9788185042114