도니트립탄 모노하이드로클로라이드 - ≥98%(HPLC) , CAS No.170911-68-9

CAS: 170911-68-9 Cat. No.: D135564 분자식: C23H25N5O2 · HCl 분자량: 439.94 EC 번호: 687-148-5
주문 가능
GRADE & PURITY ≥98%(HPLC)
Synonyms
도니트립탄 HCl | 1-[[[3-[[2- 아미노에틸)-1H-인돌-5-일]옥시]아세틸]-4-(4-시아노페닐)-피페라진염산염 | J-010666 | XTD13T14MR | 4-[4-[2-[[3-(2- 아미노에틸)-1H-인돌-5-일]옥시]아세틸]피페라진-1일]벤조니트릴염산염 | 도니트립탄 하이드로클로라이드
Storage
2-8°C에서 보관
Shipped In
젖은 얼음
★
Size
USA
독일 (EU)*
Price
Qty
10mg
D135564-10mg
3 재고 있음
—

US$276.90

US$343.90
저장 US$67.00 (19.48%)
50mg
D135564-50mg
3 재고 있음
—

US$1,177.90

US$1,373.90
저장 US$196.00 (14.27%)
Enter a quantity for the sizes you want to add.
🧪
Why this grade

≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

2-8°C에서 보관 Ships 젖은 얼음 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.

개요

막 투과성 SR-1B/SR-1D 작용제

Specifications

동의어
도니트립탄 HCl | 1-[[[3-[[2- 아미노에틸)-1H-인돌-5-일]옥시]아세틸]-4-(4-시아노페닐)-피페라진염산염 | J-010666 | XTD13T14MR | 4-[4-[2-[[3-(2- 아미노에틸)-1H-인돌-5-일]옥시]아세틸]피페라진-1일]벤조니트릴염산염 | 도니트립탄 하이드로클로라이드
사양 및 순도
≥98%(HPLC)
생화학 및 생리적 메커니즘
염산 도니트립탄은 막 투과성 SR-1B/SR-1D 작용제입니다. 염산 도니트립탄은 캡사이신에 의한 외부 경동맥 혈관 확장을 억제할 수 있는 잠재력을 보여주었습니다.
보관 조건
2-8°C에서 보관
배송
젖은 얼음
순수함
≥98%(HPLC)
이름과 식별자
Pubchem Sid
정식 스마일
C1CN(CCN1C2=CC=C(C=C2)C#N)C(=O)COC3=CC4=C(C=C3)NC=C4CCN.Cl
IUPAC Name
4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]benzonitrile;hydrochloride
InChIKey
ZXENQGQAPOYDOJ-UHFFFAOYSA-N
INCHI
1S/C23H25N5O2.ClH/c24-8-7-18-15-26-22-6-5-20(13-21(18)22)30-16-23(29)28-11-9-27(10-12-28)19-3-1-17(14-25)2-4-19;/h1-6,13,15,26H,7-12,16,24H2;1H
이성체 SMILES
C1CN(CCN1C2=CC=C(C=C2)C#N)C(=O)COC3=CC4=C(C=C3)NC=C4CCN.Cl
WGK 독일
3
분자량
439.94
Reaxy-Rn
9602662
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9602662&ln=

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
분류Diazinanes
SubclassPiperazines
Intermediate Tree Nodes Not available
Direct ParentPhenylpiperazines
Alternative Parents Tryptamines and derivatives  N-arylpiperazines  3-alkylindoles  2-arylethylamines  Aniline and substituted anilines  Benzonitriles  Dialkylarylamines  Alkyl aryl ethers  Aralkylamines  Substituted pyrroles  Tertiary carboxylic acid amides  Heteroaromatic compounds  Amino acids and derivatives  Azacyclic compounds  Nitriles  Carbonyl compounds  Hydrochlorides  Monoalkylamines  Organic oxides  Hydrocarbon derivatives  Organopnictogen compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Phenylpiperazine - Tryptamine - N-arylpiperazine - 3-alkylindole - Indole - Indole or derivatives - Benzonitrile - 2-arylethylamine - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - Tertiary carboxylic acid amide - Heteroaromatic compound - Pyrrole - Tertiary amine - Amino acid or derivatives - Carboxamide group - Azacycle - Carboxylic acid derivative - Ether - Nitrile - Carbonitrile - Amine - Primary aliphatic amine - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Primary amine - Hydrochloride - Aromatic heteropolycyclic compound
설명This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.
External Descriptors Not available
3D 구조
상호 작용 화학 구조 모델





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.

1 results found

Lot NumberCertificate Type날짜항목
D1728092Certificate of AnalysisMay 21, 2026 D135564
화학 및 물리적 특성
용해성Soluble in DMSO (50 mM), and water (>20 mg/ml).
분자량439.900 g/mol
XLogP3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass439.178 Da
Monoisotopic Mass439.178 Da
Topological Polar Surface Area98.400 Ų
Heavy Atom Count31
Formal Charge0
Complexity618.000
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
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