Simetride - ≥98% , CAS No.154-82-5

CAS: 154-82-5 Cat. No.: S413020 분자식: C28H38N2O6 분자량: 498.61 PubChem CID: 71622
주문 가능
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
독일 (EU)*
Price
Qty
1mg
S413020-1mg
주문제작 · 8~12주
US$68.90
5mg
S413020-5mg
3 재고 있음
—
US$244.90
10mg
S413020-10mg
2 재고 있음
—
US$390.90
25mg
S413020-25mg
2 재고 있음
—
US$781.90
50mg
S413020-50mg
2 재고 있음
—
US$1,249.90
100mg
S413020-100mg
2 재고 있음
—
US$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

동의어
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
사양 및 순도
≥98%
생화학 및 생리적 메커니즘
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.
보관 조건
Store at -20°C
배송
Ice chest + Ice pads
이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.
순수함
≥98%
이름과 식별자
Pubchem Sid528767286
정식 스마일CCCC1=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
이성체 SMILES CCCC1=CC(=C(C=C1)OCC(=O)N2CCN(CC2)C(=O)COC3=C(C=C(C=C3)CCC)OC)OC
PubChem CID 71622
분자량 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
분류Benzene 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
설명This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.
External Descriptors Not available
3D 구조
상호 작용 화학 구조 모델





작용 메커니즘
인증서(CoA, COO, BSE/TSE 및 분석 차트)
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 Type날짜항목
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
화학 및 물리적 특성
분자량498.600 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
솔루션 계산기
리뷰

고객 리뷰

Shall we send you a message when we have discounts available?

Remind me later

Thank you! Please check your email inbox to confirm.

Oops! Notifications are disabled.