Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID012072

Phytochemical name: Betaine hydrochloride

Synonymous chemical names:
pluchine, betaine hydrochloride

External chemical identifiers:
CID:CID_11545, ChEMBL:CHEMBL1201130, FDASRS:JK8U8K4D6K, SureChEMBL:SCHEMBL59207, MolPort-001-763-650

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Chemical structure information

SMILES:
OC(=O)C[N+](C)(C)C.[Cl-]

InChI:
InChI=1S/C5H11NO2.ClH/c1-6(2,3)4-5(7)8;/h4H2,1-3H3;1H

InChIKey:
HOPSCVCBEOCPJZ-UHFFFAOYSA-N

DeepSMILES:
OC=O)C[N+]C)C)C.[Cl-]

Functional groups:
CC(=O)O, C[N+](C)(C)C, [Cl-]

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Carboxylic acids and derivatives

ClassyFire Subclass: Amino acids, peptides, and analogues

NP-Likeness score: 0.78

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Chemical structure download