Alizapride HCl - ≥99% , CAS No.59338-87-3

CAS: 59338-87-3 Cat. No.: A129471 Molecular Weight: 351.831 EC Number: 879-920-7 PubChem CID: 135497066
AVAILABLE TO ORDER
GRADE & PURITY ≥99%
Synonyms
Alizapride hydrochloride | 6-methoxy-N-[(1-prop-2-enylpyrrolidin-2-yl)methyl]-2H-benzotriazole-5-carboxamide;hydrochloride | Alizapride HCl | D07563 | SCHEMBL3764712 | s4257 | MLS002153819 | N-((1-Allylpyrrolidin-2-yl)methyl)-6-methoxy-1H-benzo[d][1,2,3]t
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
50mg
A129471-50mg
3

$27.90

$41.90
Save $14.00 (33.41%)
250mg
A129471-250mg
3

$73.90

$110.90
Save $37.00 (33.36%)
1g
A129471-1g
1

$236.90

$355.90
Save $119.00 (33.44%)
5g
A129471-5g
2

$886.90

$1,330.90
Save $444.00 (33.36%)
25g
A129471-25g
2

$3,325.90

$4,988.90
Save $1,663.00 (33.33%)
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Why this grade

≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
Alizapride hydrochloride | 6-methoxy-N-[(1-prop-2-enylpyrrolidin-2-yl)methyl]-2H-benzotriazole-5-carboxamide;hydrochloride | Alizapride HCl | D07563 | SCHEMBL3764712 | s4257 | MLS002153819 | N-((1-Allylpyrrolidin-2-yl)methyl)-6-methoxy-1H-benzo[d][1, 2, 3]t
Specifications & Purity
≥99%
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥99%
Names and Identifiers
Canonical SmilesCOC1=CC2=C(C=C1C(=O)NCC3CCCN3CC=C)NN=N2.Cl
IUPAC Name6-methoxy-N-[(1-prop-2-enylpyrrolidin-2-yl)methyl]-3H-benzotriazole-5-carboxamide;hydrochloride
InChIKeyBRECEDGYMYXGNF-UHFFFAOYSA-N
INCHI1S/C16H21N5O2.ClH/c1-3-6-21-7-4-5-11(21)10-17-16(22)12-8-13-14(19-20-18-13)9-15(12)23-2;/h3,8-9,11H,1,4-7,10H2,2H3,(H,17,22)(H,18,19,20);1H
Isomeric SMILES COC1=CC2=C(C=C1C(=O)NCC3CCCN3CC=C)NN=N2.Cl
Alternate CAS 59338-93-1
PubChem CID 135497066
Molecular Weight 351.831

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
SuperclassOrganoheterocyclic compounds
ClassBenzotriazoles
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentBenzotriazoles
Alternative Parents Anisoles  Alkyl aryl ethers  N-alkylpyrrolidines  Triazoles  Heteroaromatic compounds  Trialkylamines  Secondary carboxylic acid amides  Amino acids and derivatives  Azacyclic compounds  Organopnictogen compounds  Organic oxides  Hydrochlorides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Benzotriazole - Anisole - Alkyl aryl ether - Benzenoid - N-alkylpyrrolidine - Azole - Pyrrolidine - Heteroaromatic compound - Triazole - 1,2,3-triazole - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Ether - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Hydrochloride - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as benzotriazoles. These are organic compounds containing a benzene fused to a triazole ring (a five-membered ring with two carbon atoms and three nitrogen atoms).
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 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:

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

5 results found

Lot NumberCertificate TypeDateItem
G2312601Certificate of AnalysisApr 07, 2025 A129471
G2312633Certificate of AnalysisApr 07, 2025 A129471
G2312657Certificate of AnalysisApr 07, 2025 A129471
G2312663Certificate of AnalysisApr 07, 2025 A129471
G2312673Certificate of AnalysisApr 07, 2025 A129471
Chemical and Physical Properties
SolubilityDMF: 5 mg/mL,DMSO: 10 mg/mL,Ethanol: 0.5 mg/mL,PBS (pH 7.2): 10 mg/mL
SensitivityMoisture sensitive
Molecular Weight351.800 g/mol
XLogP3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass351.146 Da
Monoisotopic Mass351.146 Da
Topological Polar Surface Area83.100 Ų
Heavy Atom Count24
Formal Charge0
Complexity433.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
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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