Docusate , Surfactant laxative, CAS No.10041-19-7, Surfactant laxative

CAS: 10041-19-7 Cat. No.: D670920 분자식: C20H38O7S 분자량: 422.6
주문 가능
Synonyms
DOCUSATE | Q27105309 | DOCUSATES (MART.) | M7P27195AG | DOCUSATE [VANDF] | 1,4-Bis(2-ethylhexyl) 2-sulphosuccinate | 1,4-Bis(2-ethylhexyloxy)-1,4-dioxo-2-butansulfonsaeure [IUPAC] | DTXSID1044279 | bis(2-ethylhexyl) sulfosuccinate | Butanedionic acid, sul
Storage
Room temperature
★
Size
USA
독일 (EU)*
Price
Qty
1mg
D670920-1mg
주문제작 · 8~12주
US$999.90
Enter a quantity for the sizes you want to add.
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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.

📋

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
DOCUSATE | Q27105309 | DOCUSATES (MART.) | M7P27195AG | DOCUSATE [VANDF] | 1,4-Bis(2-ethylhexyl) 2-sulphosuccinate | 1,4-Bis(2-ethylhexyloxy)-1,4-dioxo-2-butansulfonsaeure [IUPAC] | DTXSID1044279 | bis(2-ethylhexyl) sulfosuccinate | Butanedionic acid, sul
보관 조건
Room temperature
작동 메커니즘
Surfactant laxative
제품 특성
ALogP
5.1
이름과 식별자
정식 스마일
CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)O
IUPAC Name
1,4-bis(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonic acid
InChIKey
HNSDLXPSAYFUHK-UHFFFAOYSA-N
INCHI
1S/C20H38O7S/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2/h16-18H,5-15H2,1-4H3,(H,23,24,25)
이성체 SMILES
CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)O
분자량
422.6
Reaxy-Rn
1808229
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1808229&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
SuperclassLipids and lipid-like molecules
분류Fatty Acyls
SubclassFatty acid esters
Intermediate Tree Nodes Not available
Direct ParentFatty acid esters
Alternative Parents Dicarboxylic acids and derivatives  Sulfonyls  Organosulfonic acids  Alkanesulfonic acids  Carboxylic acid esters  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAliphatic acyclic compounds
Substituents Fatty acid ester - Dicarboxylic acid or derivatives - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Carboxylic acid ester - Carboxylic acid derivative - Organosulfur compound - Organooxygen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Aliphatic acyclic compound
설명This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
External Descriptors alkanesulfonic acid - succinate ester
3D 구조
상호 작용 화학 구조 모델





관련 대상(인간)
VDR Tclin Vitamin D receptor (26531 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
POLK Tbio DNA polymerase kappa (8653 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RECQL Tbio ATP-dependent DNA helicase Q1 (5575 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GMNN Tbio Geminin (128009 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
관련 대상(비인간)
GCN5 Histone acetyltransferase GCN5 (89 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Luciferin 4-monooxygenase (66902 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
FTL Ferritin light chain (43324 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
작용 메커니즘
인증서(CoA, COO, BSE/TSE 및 분석 차트)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
화학 및 물리적 특성
분자량422.600 g/mol
XLogP35.100
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count18
Exact Mass422.234 Da
Monoisotopic Mass422.234 Da
Topological Polar Surface Area115.000 Ų
Heavy Atom Count28
Formal Charge0
Complexity539.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
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