CHLORAL BETAINE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 8680278NRH

Structure
InChI Key ONAOIDNSINNZOA-UHFFFAOYSA-N
Smile C[N+](C)(C)CC(=O)[O-].OC(O)C(Cl)(Cl)Cl
InChI
InChI=1S/C5H11NO2.C2H3Cl3O2/c1-6(2,3)4-5(7)8;3-2(4,5)1(6)7/h4H2,1-3H3;1,6-7H

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H14Cl3NO4
Molecular Weight 282.55
AlogP None
Hydrogen Bond Acceptor None
Hydrogen Bond Donor None
Number of Rotational Bond None
Polar Surface Area None
Molecular species None
Aromatic Rings None
Heavy Atoms None

Cross References

Resources Reference
ChEMBL CHEMBL3833335
DrugBank DB01494
EPA CompTox DTXSID20176716
FDA SRS 8680278NRH
PubChem 16676
SureChEMBL SCHEMBL124513
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