Benactyzine Hydrochloride - 10mM in DMSO , CAS No.57-37-4

CAS: 57-37-4 Cat. No.: B424832 Molecular Weight: 363.88 EC Number: 200-324-4
AVAILABLE TO ORDER
GRADE & PURITY 10mM in DMSO
Synonyms
Amysyl | MLS000069801 | Benaktin | Leucidil | MFCD00012624 | Ethanol, 2-(diethylamino)-, benzilate hydrochloride | NSC 16339 | 2-(Difenyl-hydroxyacetoxy)ethyl-diethylammoniumchlorid | 2-(diethylamino)ethyl 2-hydroxy-2,2-diphenylacetate hydrochloride | 2-D
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1ml
B424832-1ml
2

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Why this grade

10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.

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Quality documents

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

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
Amysyl | MLS000069801 | Benaktin | Leucidil | MFCD00012624 | Ethanol, 2-(diethylamino)-, benzilate hydrochloride | NSC 16339 | 2-(Difenyl-hydroxyacetoxy)ethyl-diethylammoniumchlorid | 2-(diethylamino)ethyl 2-hydroxy-2, 2-diphenylacetate hydrochloride | 2-D
Specifications & Purity
10mM in DMSO
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers
Canonical SmilesCCN(CC)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O.Cl
IUPAC Name2-(diethylamino)ethyl 2-hydroxy-2,2-diphenylacetate;hydrochloride
InChIKeyZCEHOOLYWQBGQO-UHFFFAOYSA-N
INCHI1S/C20H25NO3.ClH/c1-3-21(4-2)15-16-24-19(22)20(23,17-11-7-5-8-12-17)18-13-9-6-10-14-18;/h5-14,23H,3-4,15-16H2,1-2H3;1H
Isomeric SMILES CCN(CC)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O.Cl
RTECS DD2800000
Molecular Weight 363.88
Reaxy-Rn 3920541
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3920541&ln=

Documentation

📋 Safety Data Sheet (SDS)

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

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✅ Certificate of Analysis (COA)

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

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassDiphenylmethanes
Intermediate Tree Nodes Not available
Direct ParentDiphenylmethanes
Alternative Parents Tertiary alcohols  Trialkylamines  Carboxylic acid esters  Amino acids and derivatives  Monocarboxylic acids and derivatives  Organopnictogen compounds  Organic oxides  Hydrochlorides  Hydrocarbon derivatives  Carbonyl compounds  Aromatic alcohols  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Diphenylmethane - Tertiary alcohol - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Alcohol - Aromatic alcohol - Hydrochloride - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Amine - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
POLB Tchem DNA polymerase beta (23632 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MBNL1 Tbio Muscleblind-like protein 1 (34431 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
ampC Beta-lactamase AmpC (62480 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Pseudomonas aeruginosa (123386 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Klebsiella pneumoniae (43867 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Staphylococcus aureus (210822 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Acinetobacter baumannii (41033 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Escherichia coli (133304 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cryptococcus neoformans (21258 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Candida albicans (78123 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Oryctolagus cuniculus (11301 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
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)178 °C
Molecular Weight363.900 g/mol
XLogP3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass363.16 Da
Monoisotopic Mass363.16 Da
Topological Polar Surface Area49.800 Ų
Heavy Atom Count25
Formal Charge0
Complexity351.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count2
Solution Calculators
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