Homatropine methyl bromide - ≥98% , CAS No.80-49-9

CAS: 80-49-9 Cat. No.: H341994 Peso molecular: 370.29 Número EC: 201-284-0
Disponible para pedir
GRADE & PURITY ≥98%
Synonyms
[(1R,5S)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-hydroxy-2-phenylacetate;bromide | 68JRS2HC1C | Homapin-5 | homatropine methylbromide | Homatropine methylbromide (USP) | A839929 | SW219039-1 | CCG-268291 | Methylbromure d'homatropine [INN-French]
Storage
Store at 2-8°C
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1g
H341994-1g
3

35,90US$

42,90US$
Guardar 7,00 US$ (16.32%)
5g
H341994-5g
3

141,90US$

165,90US$
Guardar 24,00 US$ (14.47%)
25g
H341994-25g
2
506,90US$
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos
[(1R, 5S)-8, 8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-hydroxy-2-phenylacetate;bromide | 68JRS2HC1C | Homapin-5 | homatropine methylbromide | Homatropine methylbromide (USP) | A839929 | SW219039-1 | CCG-268291 | Methylbromure d'homatropine [INN-French]
Especificaciones y pureza
≥98%
Condiciones de almacenamiento de almacenamiento
Store at 2-8°C
Enviado en
Wet ice
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Pureza
≥98%
Nombres e identificadores
Sonrisas canónicasC[N+]1(C2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)O)C.[Br-]
IUPAC Name[(1S,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-hydroxy-2-phenylacetate;bromide
InChIKeyFUFVKLQESJNNAN-ZZJGABIISA-M
INCHI1S/C17H24NO3.BrH/c1-18(2)13-8-9-14(18)11-15(10-13)21-17(20)16(19)12-6-4-3-5-7-12;/h3-7,13-16,19H,8-11H2,1-2H3;1H/q+1;/p-1/t13-,14+,15?,16?;
Isómeros SMILES C[N+]1([C@@H]2CC[C@H]1CC(C2)OC(=O)C(C3=CC=CC=C3)O)C.[Br-]
RTECS MS9000000
Peso molecular 370.29
Reaxy-Rn 3923192
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3923192&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassAlkaloids and derivatives
ClaseTropane alkaloids
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentTropane alkaloids
Alternative Parents Piperidines  N-alkylpyrrolidines  Benzene and substituted derivatives  Tetraalkylammonium salts  Secondary alcohols  Carboxylic acid esters  Monocarboxylic acids and derivatives  Azacyclic compounds  Organic zwitterions  Organic oxides  Organic bromide salts  Hydrocarbon derivatives  Carbonyl compounds  Aromatic alcohols  Amines  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Tropane alkaloid - Monocyclic benzene moiety - Piperidine - N-alkylpyrrolidine - Benzenoid - Tetraalkylammonium salt - Pyrrolidine - Quaternary ammonium salt - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic bromide salt - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Amine - Organic oxygen compound - Alcohol - Carbonyl group - Organic nitrogen compound - Aromatic alcohol - Organic salt - Organic zwitterion - Aromatic heteropolycyclic compound
DescripciónThis 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
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Liver microsomes (16955 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot NumberCertificate TypeFechaArticulo
B2314584Certificate of AnalysisNov 10, 2025 H341994
B2314553Certificate of AnalysisNov 10, 2025 H341994
B2314544Certificate of AnalysisNov 10, 2025 H341994
C2524511Certificate of AnalysisAug 04, 2022 H341994
Propiedades químicas y físicas
SolubilidadSoluble in water (74 mg/mL at 25 °C), alcohol, ethanol (10 mg/mL at 25 °C), and DMSO (74 mg/mL at 25 °C).
SensibilidadMoisture sensitive
Índice de refracciónn20D~1.59 (Predicted)
Punto de fusión (°C)193.0-198.0° C
Peso molecular370.300 g/mol
XLogP3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass369.094 Da
Monoisotopic Mass369.094 Da
Topological Polar Surface Area46.500 Ų
Heavy Atom Count22
Formal Charge0
Complexity373.000
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count2
Citations of This Product
Referencias
1. Pingping Zhou, Chunlei Yue, Yuchen Zhang, Yan Li, Xinyi Da, Xiuqi Zhou, Lidan Ye.  (2022)  Alleviation of the Byproducts Formation Enables Highly Efficient Biosynthesis of Rosmarinic Acid in Saccharomyces cerevisiae.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:35416041] [10.1021/acs.jafc.2c01179]
Calculadoras de soluciones
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