BETONICINE

Inquiry

For Research Use Only.

Category

Alkaloids

Cat.No.

NP0038

CAS

515-25-3

Product Name

BETONICINE

Structure

Product Details

Description

Betonicine is a natural product found in Achillea millefolium, Achillea sibirica, and other organisms.

Synonyms

Achillein; (-)-Betonicine; trans-4-hydroxy-L-proline betaine; Achilleine; (2S-trans)-2-Carboxylato-4-hydroxy-1,1-dimethylpyrrolidinium; 4-hydroxy-stachydrine

IUPAC Name

(2S,4R)-4-hydroxy-1,1-dimethylpyrrolidin-1-ium-2-carboxylate

Molecular Weight

159.18

Molecular Formula

C7H13NO3

Canonical SMILES

C[N+]1(CC(CC1C(=O)[O-])O)C

InChI

InChI=1S/C7H13NO3/c1-8(2)4-5(9)3-6(8)7(10)11/h5-6,9H,3-4H2,1-2H3/t5-,6+/m1/s1

InChIKey

MUNWAHDYFVYIKH-RITPCOANSA-N

Boiling Point

284.67°C (rough estimate)

Melting Point

246-248°C

Purity

>95% by TLC

Density

1.2013 g/cm3(rough estimate)

Solubility

Water, hot alcohol

Appearance

White to Off-white Powder

Storage

Store at 2-8°C

Alpha

D20 -34.2° (c = 1.0)

Color

Light Yellow to Dark Yellow

Definition

ChEBI: An amino-acid betaine that is trans-4-hydroxy-L-proline zwitterion in which both of the hydrogens attached to the nitrogen have been replaced by methyl groups.

EINECS

208-195-6

Form

Solid

Refractive Index

1.4760 (estimate)

Safety Statements

22-24/25

WGK Germany

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