Betonicine | CAS#515-25-3 | biomarker

MedKoo Cat#: 571553 | Name: Betonicine

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Betonicine can be found in herbs and spices and pulses, which makes betonicine a potential biomarker for the consumption of these food products. Betonicine can be found primarily in urine. This compound belongs to the class of organic compounds known as l-alpha-amino acids.

Chemical Structure

Betonicine

CAS#515-25-3

Theoretical Analysis

MedKoo Cat#: 571553

Name: Betonicine

CAS#: 515-25-3

Chemical Formula: C7H13NO3

Exact Mass: 159.0895

Molecular Weight: 159.19

Elemental Analysis: C, 52.82; H, 8.23; N, 8.80; O, 30.15

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Related CAS #

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Synonym

Achillein; Achilleine; NSC 655264; NSC655264; NSC-655264

IUPAC/Chemical Name

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

InChi Key

MUNWAHDYFVYIKH-RITPCOANSA-N

InChi Code

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

SMILES Code

C[N+]1(C)[C@H](C([O-])=O)C[C@@H](O)C1

Appearance

Solid powder

Purity

>98% (or refer to the Certificate of Analysis)

Shipping Condition

Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition

Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility

Soluble in DMSO

Shelf Life

>2 years if stored properly

Drug Formulation

This drug may be formulated in DMSO

Stock Solution Storage

0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code

2934.99.9001

More Info

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 159.19 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Concentration / Solvent Volume / Mass	1 mg	5 mg	10 mg
1 mM	1.15 mL	5.76 mL	11.51 mL
5 mM	0.23 mL	1.15 mL	2.3 mL
10 mM	0.12 mL	0.58 mL	1.15 mL
50 mM	0.02 mL	0.12 mL	0.23 mL

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