Simetride - ≥98% , CAS No.154-82-5

CAS: 154-82-5 Cat. No.: S413020 分子式: C28H38N2O6 分子量: 498.61 PubChem CID: 71622
注文可能
GRADE & PURITY ≥98%
Synonyms
1,4-Bis((2-methoxy-4-propylphenoxy)acetyl)piperazine | Q27287491 | AP 2 | CHEBI:134727 | HY-117497 | SIMETRIDE [WHO-DD] | 5GO20BIE6O | Simetride (JAN) | AKOS040754031 | Simetrid | IMOLVSPMDGCLMB-UHFFFAOYSA-N | Phosphoric acid, tris(2,3-dichloropropyl) est
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
★
Size
USA
ドイツ (EU)*
Price
Qty
1mg
S413020-1mg
受注生産 · 8~12週間
$68.90
5mg
S413020-5mg
3 在庫あり
—
$244.90
10mg
S413020-10mg
2 在庫あり
—
$390.90
25mg
S413020-25mg
2 在庫あり
—
$781.90
50mg
S413020-50mg
2 在庫あり
—
$1,249.90
100mg
S413020-100mg
2 在庫あり
—
$1,999.90
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 -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

同義語
1,4-Bis((2-methoxy-4-propylphenoxy)acetyl)piperazine | Q27287491 | AP 2 | CHEBI:134727 | HY-117497 | SIMETRIDE [WHO-DD] | 5GO20BIE6O | Simetride (JAN) | AKOS040754031 | Simetrid | IMOLVSPMDGCLMB-UHFFFAOYSA-N | Phosphoric acid, tris(2,3-dichloropropyl) est
仕様と純度
≥98%
生化学的・生理学的メカニズム
Simetride, a non-narcotic analgesic, is an ingredient of Kyorin AP2 which is used to treat low back pain, symptomatic neuralgia, headache, menstrual pain and etc.
保管条件
Store at -20°C
入荷
Ice chest + Ice pads
この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。
純度
≥98%
名前と識別子
パブケム・シド528767286
カノニカル・スマイルCCCC1=CC(=C(C=C1)OCC(=O)N2CCN(CC2)C(=O)COC3=C(C=C(C=C3)CCC)OC)OC
IUPAC Name2-(2-methoxy-4-propylphenoxy)-1-[4-[2-(2-methoxy-4-propylphenoxy)acetyl]piperazin-1-yl]ethanone
InChIKeyIMOLVSPMDGCLMB-UHFFFAOYSA-N
INCHI1S/C28H38N2O6/c1-5-7-21-9-11-23(25(17-21)33-3)35-19-27(31)29-13-15-30(16-14-29)28(32)20-36-24-12-10-22(8-6-2)18-26(24)34-4/h9-12,17-18H,5-8,13-16,19-20H2,1-4H3
異性体SMILES CCCC1=CC(=C(C=C1)OCC(=O)N2CCN(CC2)C(=O)COC3=C(C=C(C=C3)CCC)OC)OC
PubChem CID 71622
分子量 498.61

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
SuperclassBenzenoids
分類Benzene and substituted derivatives
SubclassPhenylpropanes
Intermediate Tree Nodes Not available
Direct ParentPhenylpropanes
Alternative Parents Phenoxy compounds  Methoxybenzenes  Anisoles  Alkyl aryl ethers  Piperazines  Tertiary carboxylic acid amides  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Phenylpropane - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - 1,4-diazinane - Piperazine - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Ether - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Aromatic heteromonocyclic compound
説明This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.
External Descriptors Not available
3 D構造
インタラクティブ化学構造モデル





作用メカニズム
証明書(CoA、COO、BSE/TSEと分析図)
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.

6 results found

Lot NumberCertificate Type日付商品
A2417529Certificate of AnalysisDec 14, 2023 S413020
A2417530Certificate of AnalysisDec 14, 2023 S413020
A2417531Certificate of AnalysisDec 14, 2023 S413020
A2417538Certificate of AnalysisDec 14, 2023 S413020
A2417539Certificate of AnalysisDec 14, 2023 S413020
A2417540Certificate of AnalysisDec 14, 2023 S413020
化学的性質と物理的性質
分子量498.600 g/mol
XLogP35.000
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Exact Mass498.273 Da
Monoisotopic Mass498.273 Da
Topological Polar Surface Area77.500 Ų
Heavy Atom Count36
Formal Charge0
Complexity612.000
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 Count1
ソリューション計算機
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