Metocurine , CAS No.5152-30-7

CAS: 5152-30-7 Cat. No.: M667869 Molecular Weight: 652.8 PubChem CID: 21233
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Synonyms
METOCURINE | Dimethyltubocurarinium | Metocurine ion | Metocurine cation | O,O-Dimethylchondrocurarine | Dimethyl tubocurarine | CHEBI:6900 | Tubocuraranium, 6,6',7',12'-tetramethoxy-2,2,2',2'-tetramethyl- | V0M92G2U26 | 6,6',7',12'-Tetramethoxy-2,2,2',2'
Storage
Room temperature
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Size
Status
Price
Qty
1mg
M667869-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$571.90

$999.90
Save $428.00 (42.80%)
5mg
M667869-5mg
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$1,999.90

$2,999.90
Save $1,000.00 (33.33%)
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships 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
METOCURINE | Dimethyltubocurarinium | Metocurine ion | Metocurine cation | O, O-Dimethylchondrocurarine | Dimethyl tubocurarine | CHEBI:6900 | Tubocuraranium, 6, 6', 7', 12'-tetramethoxy-2, 2, 2', 2'-tetramethyl- | V0M92G2U26 | 6, 6', 7', 12'-Tetramethoxy-2, 2, 2', 2'
Storage
Room temperature
Product Properties
ALogP6.7
Names and Identifiers
Canonical SmilesC[N+]1(CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC(=C(C=C7)OC)O3)[N+](CCC6=CC(=C5OC)OC)(C)C)OC)C
IUPAC Name(1S,16R)-9,10,21,25-tetramethoxy-15,15,30,30-tetramethyl-7,23-dioxa-15,30-diazoniaheptacyclo[22.6.2.23,6.18,12.118,22.027,31.016,34]hexatriaconta-3(36),4,6(35),8(34),9,11,18(33),19,21,24,26,31-dodecaene
InChIKeyJFXBEKISTKFVAB-AJQTZOPKSA-N
INCHI1S/C40H48N2O6/c1-41(2)17-15-27-22-34(44-6)36-24-30(27)31(41)19-25-9-12-29(13-10-25)47-40-38-28(23-37(45-7)39(40)46-8)16-18-42(3,4)32(38)20-26-11-14-33(43-5)35(21-26)48-36/h9-14,21-24,31-32H,15-20H2,1-8H3/q+2/t31-,32+/m0/s1
Isomeric SMILES C[N+]1(CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C6[C@@H](CC7=CC(=C(C=C7)OC)O3)[N+](CCC6=CC(=C5OC)OC)(C)C)OC)C
PubChem CID 21233
Molecular Weight 652.8

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
SuperclassOrganic oxygen compounds
ClassOrganooxygen compounds
SubclassEthers
Intermediate Tree Nodes Not available
Direct ParentDiarylethers
Alternative Parents Tetrahydroisoquinolines  Anisoles  Aralkylamines  Alkyl aryl ethers  Tetraalkylammonium salts  Oxacyclic compounds  Azacyclic compounds  Organopnictogen compounds  Organic salts  Hydrocarbon derivatives  Organic cations  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Diaryl ether - Tetrahydroisoquinoline - Anisole - Alkyl aryl ether - Aralkylamine - Benzenoid - Quaternary ammonium salt - Tetraalkylammonium salt - Oxacycle - Organoheterocyclic compound - Azacycle - Organic salt - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organopnictogen compound - Amine - Organic cation - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.
External Descriptors isoquinolines
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
ABCC2 Tchem Canalicular multispecific organic anion transporter 1 (1191 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ABCB11 Tchem Bile salt export pump (2311 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ABCC3 Tbio Canalicular multispecific organic anion transporter 2 (718 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Hdac6 Histone deacetylase 6 (222 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
Molecular Weight652.800 g/mol
XLogP36.700
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass652.351 Da
Monoisotopic Mass652.351 Da
Topological Polar Surface Area55.400 Ų
Heavy Atom Count48
Formal Charge2
Complexity1060.000
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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