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Anisodamine Hydrobromide - 10mM in DMSO, high purity , CAS No.55449-49-5

COA

Grade & Purity:

10mM in DMSO

Cas Number: 55449-49-5
Molecular Weight: 386.28
PubChem CID: 118856046

In stock

Item Number

A424719

Grouped product items
SKU	Size	Availability	Price	Qty
A424719-1ml	1ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$241.90

AChR Inhibitors

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Class A GPCR (4138) Compound libraries (12325)

Basic Description

Synonyms	anisodamine hydrobromide \| 55449-49-5 \| Anisodamine (hydrobromide) \| 4RKP5CSA1O \| Anisodamine hydrobromide [WHO-DD] \| (-)-6-Hydroxyhyoscyamine hydrobromide \| Hyoscyamine, 6-hydroxy-, hydrobromide \| [(1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3
Specifications & Purity	10mM in DMSO
Biochemical and Physiological Mechanisms	Anisodamine (6-Hydroxyhyoscyamine) is a naturally occurring atropine derivative and exhibits anti-inflammatory activity. It also inhibits α1-adrenergic receptors and muscarinic acetylcholine receptors (mAChRs).
Storage Temp	Protected from light,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	Information Anisodamine Hydrobromide Anisodamine (6-Hydroxyhyoscyamine) is a naturally occurring atropine derivative and exhibits anti-inflammatory activity. It also inhibits α1-adrenergic receptors and muscarinic acetylcholine receptors (mAChRs) .

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Alkaloids and derivatives
  - Class Tropane alkaloids

Kingdom	Organic compounds
Superclass	Alkaloids and derivatives
Class	Tropane alkaloids
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Tropane alkaloids
Alternative Parents	Fatty acid esters Beta hydroxy acids and derivatives Piperidines N-alkylpyrrolidines Benzene and substituted derivatives 1,3-aminoalcohols Trialkylamines Secondary alcohols Cyclic alcohols and derivatives Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Hydrobromides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Tropane alkaloid - Fatty acid ester - Beta-hydroxy acid - Fatty acyl - Benzenoid - N-alkylpyrrolidine - Piperidine - Hydroxy acid - Monocyclic benzene moiety - Pyrrolidine - Cyclic alcohol - 1,3-aminoalcohol - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Carboxylic acid ester - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Hydrobromide - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as tropane alkaloids. These are organic compounds containing the nitrogenous bicyclic alkaloid parent N-Methyl-8-azabicyclo[3.2.1]octane.
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

Product Properties

ALogP	1.121
HBD Count	2
Rotatable Bond	5

Names and Identifiers

IUPAC Name	[(1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate;hydrobromide
INCHI	InChI=1S/C17H23NO4.BrH/c1-18-12-7-13(9-15(18)16(20)8-12)22-17(21)14(10-19)11-5-3-2-4-6-11;/h2-6,12-16,19-20H,7-10H2,1H3;1H/t12-,13-,14+,15+,16-;/m0./s1
InChIKey	KMYQCELRVANQNG-YXGOVGSCSA-N
Smiles	CN1C2CC(CC1C(C2)O)OC(=O)C(CO)C3=CC=CC=C3.Br
Isomeric SMILES	CN1[C@H]2C[C@@H](C[C@@H]1[C@H](C2)O)OC(=O)[C@H](CO)C3=CC=CC=C3.Br
PubChem CID	118856046
Molecular Weight	386.28

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

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

Analytical Chart:

Chemical and Physical Properties

Sensitivity	light sensitive;Moisture sensitive
DMSO(mg / mL) Max Solubility	77
DMSO(mM) Max Solubility	199.337268302786
Water(mg / mL) Max Solubility	-1
Molecular Weight	386.300 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	385.089 Da
Monoisotopic Mass	385.089 Da
Topological Polar Surface Area	70.000 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	396.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
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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