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Homatropine Hydrochloride - >98.0%(T), high purity , CAS No.637-21-8

COA

Grade & Purity:

≥98%(T)

Cas Number: 637-21-8
Molecular Weight: 311.81
Beilstein Registry Number: 21(3/4)179
MDL number: MFCD00050613
PubChem CID: 16104610

In stock

Item Number

H157065

Grouped product items
SKU	Size	Availability	Price	Qty
H157065-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$40.90
H157065-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$326.90

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Class A GPCR (4138) quinolines (133)

Basic Description

Synonyms	HOMATROPINE HCL \| Q27256525 \| H0156 \| 365MO3S3N9 \| D90808 \| UNII-365MO3S3N9 \| Homatropine hydrochloride \| EINECS 211-280-0 \| SCHEMBL220964 \| HOMATROPINE HYDROCHLORIDE [WHO-DD] \| Homatropinhydrochlorid \| DTXSID10858796 \| HOMATROPINE HYDROCHLORIDE [MI]
Specifications & Purity	≥98%(T)
Shipped In	Normal

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	Piperidines N-alkylpyrrolidines Benzene and substituted derivatives Trialkylamines Secondary alcohols Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Tropane alkaloid - Monocyclic benzene moiety - Piperidine - N-alkylpyrrolidine - Benzenoid - Pyrrolidine - Amino acid or derivatives - Carboxylic acid ester - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Alcohol - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Aromatic alcohol - Hydrochloride - 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

Names and Identifiers

IUPAC Name	[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-hydroxy-2-phenylacetate;hydrochloride
INCHI	InChI=1S/C16H21NO3.ClH/c1-17-12-7-8-13(17)10-14(9-12)20-16(19)15(18)11-5-3-2-4-6-11;/h2-6,12-15,18H,7-10H2,1H3;1H/t12-,13+,14?,15?;
InChIKey	FRMDDIJBLQNNTC-MOTQWOLNSA-N
Smiles	CN1C2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)O.Cl
Isomeric SMILES	CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C(C3=CC=CC=C3)O.Cl
Molecular Weight	311.81
Beilstein	21(3/4)179
Reaxy-Rn	4040511
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4040511&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Melt Point(°C)	220 °C
Molecular Weight	311.800 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	311.129 Da
Monoisotopic Mass	311.129 Da
Topological Polar Surface Area	49.800 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	340.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	1
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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