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Stachydrine hydrochloride - 10mM in DMSO, high purity , CAS No.4136-37-2

COA

Grade & Purity:

10mM in DMSO

Cas Number: 4136-37-2
Molecular Weight: 179.64
PubChem CID: 44150282

In stock

Item Number

S423877

Grouped product items
SKU	Size	Availability	Price	Qty
S423877-1ml	1ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$45.90

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Compound libraries (12325) Metabolite (5307)

Basic Description

Synonyms	Stachydrine hydrochloride \| 4136-37-2 \| Stachydrine HCl \| UNII-19Z024IC5E \| (S)-2-Carboxy-1,1-dimethylpyrrolidinium chloride \| 19Z024IC5E \| EINECS 223-957-8 \| CADABINE HYDROCHLORIDE \| (S)-2-Carboxy-1,1-dimethylpyrrolidin-1-ium chloride \| (2S)-1,1-dimethylpyrrolidin-1-ium-2
Specifications & Purity	10mM in DMSO
Storage Temp	Store at -80°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	A potentially useful alkaloid for activity screening and an anticancer agent in vitro.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Amino acids and derivatives
        Level6 Alpha amino acids and derivatives
        Level7 Proline and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent	Proline and derivatives
Alternative Parents	L-alpha-amino acids Pyrrolidine carboxylic acids N-alkylpyrrolidines Tetraalkylammonium salts Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds Amines Organic cations
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Proline or derivatives - Alpha-amino acid - L-alpha-amino acid - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - N-alkylpyrrolidine - Tetraalkylammonium salt - Pyrrolidine - Quaternary ammonium salt - Carboxylic acid salt - Azacycle - Organoheterocyclic compound - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic salt - Hydrochloride - Carbonyl group - Amine - Organic cation - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as proline and derivatives. These are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	(2S)-1,1-dimethylpyrrolidin-1-ium-2-carboxylic acid;chloride
INCHI	InChI=1S/C7H13NO2.ClH/c1-8(2)5-3-4-6(8)7(9)10;/h6H,3-5H2,1-2H3;1H/t6-;/m0./s1
InChIKey	DUNMULOWUUIQIL-RGMNGODLSA-N
Smiles	C[N+]1(CCCC1C(=O)O)C.[Cl-]
Isomeric SMILES	C[N+]1(CCC[C@H]1C(=O)O)C.[Cl-]
Molecular Weight	179.64

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Sensitivity	Air & Moisture Sensitive.
Specific Rotation[α]	-27 ° (C=2, H2O)
Melt Point(°C)	235°C
Molecular Weight	179.640 g/mol
XLogP3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	179.071 Da
Monoisotopic Mass	179.071 Da
Topological Polar Surface Area	37.300 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	154.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	2

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