Betonicine

Base Information

Chemical Name:Betonicine
CAS No.:515-25-3
Deprecated CAS:4476-22-6
Molecular Formula:C7H13 N O3
Molecular Weight:159.185
Hs Code.:2933990090
European Community (EC) Number:208-195-6
UNII:FBA654632Q
DSSTox Substance ID:DTXSID30965830
Wikidata:Q340267
Metabolomics Workbench ID:43824
Mol file:515-25-3.mol

Synonyms:Betonicine;515-25-3;Achillein;Achilleine;(-)-Betonicine;trans-4-hydroxy-L-proline betaine;Betonicin;(2S-trans)-2-Carboxylato-4-hydroxy-1,1-dimethylpyrrolidinium;4-hydroxy-stachydrine;NSC 655264;UNII-FBA654632Q;(2S,4R)-4-hydroxy-1,1-dimethylpyrrolidin-1-ium-2-carboxylate;FBA654632Q;EINECS 208-195-6;NSC-655264;(2s,4r)-4-Hydroxy-1,1-Dimethylpyrrolidinium-2-Carboxylate;4-Hydroxy-1,1-dimethylpyrrolidinium-2-carboxylate;(2,4R)-4-hydroxy-1,1-dimethylpyrrolidinium-2-carboxylate;NSC655264;Pyrrolidinium, 2-carboxy-4-hydroxy-1,1-dimethyl-, hydroxide, inner salt, (2S-trans)-;BETONICINE [MI];4-Hydroxyproline betaine;4-hydroxy-1,1-dimethylpyrrolidin-1-ium-2-carboxylate;trans-hydroxyproline betaine;SCHEMBL893616;(2S-trans)-;CHEBI:85533;DTXSID30965830;MFCD00063554;AKOS040744484;L-4-Hydroxyproline betaine;4-HYDROXYPROLINE BETAINE, TRANS-;C08269;E77629;Q63390490;(2S,4R)-4-hydroxy-1,1-dimethyl-pyrrolidin-1-ium-2-carboxylic acid;2-CARBOXY-4-HYDROXY-1,1-DIMETHYLPYRROLIDINIUM HYDROXIDE, INNER SALT, L-TRANS-;PYRROLIDINIUM, 2-CARBOXY-4-HYDROXY-1,1-DIMETHYL-, INNER SALT, (2S,4R)-;PYRROLIDINIUM, 2-CARBOXY-4-HYDROXY-1,1-DIMETHYL-, INNER SALT, (2S-TRANS)-

Suppliers and Price of Betonicine

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Biosynth Carbosynth
Betonicine
25 mg
$ 550.00

Biosynth Carbosynth
Betonicine
10 mg
$ 240.00

Biosynth Carbosynth
Betonicine
5 mg
$ 160.00

Biosynth Carbosynth
Betonicine
2 mg
$ 100.00

Biosynth Carbosynth
Betonicine
1 mg
$ 60.00

American Custom Chemicals Corporation
BETONICINE 95.00%
25MG
$ 916.84

AK Scientific
Betonicine
1mg
$ 131.00

Total 17 raw suppliers

Chemical Property of Betonicine

Chemical Property:

Melting Point:246-248°C
Refractive Index:1.4760 (estimate)
Boiling Point:°Cat760mmHg
Flash Point:°C
PSA：60.36000
Density:g/cm³
LogP:-2.09530
XLogP3:0.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:159.08954328
Heavy Atom Count:11
Complexity:173

Purity/Quality:

99%, ^*data from raw suppliers

Betonicine ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Safety Statements: 22-24/25

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C[N+]1(CC(CC1C(=O)[O-])O)C
Isomeric SMILES:C[N+]1(C[C@@H](C[C@H]1C(=O)[O-])O)C

Technology Process of Betonicine

There total 6 articles about Betonicine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: