기본 정보
- CAS
128-49-4- 표준 SMILES
CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-].CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-].[Ca+2]- InChIKey
DWKPZOZZBLWFJX-UHFFFAOYSA-L- 분자식
- C40H74CaO14S2
- 평균 분자량
- 883.2 g/mol
- 단동위원소 질량
- 882.41459003
개요
Docusate Calcium is the calcium salt of docusate, a dioctyl salt and an emollient laxative with stool-softening activity. Docusate decreases surface tension and emulsification of fecal matter and allows water to penetrate and mix with stool. As a result, it softens the stool.
이름 및 식별자
- 우선 이름
- Docusate Calcium
- IUPAC
- calcium bis(1,4-bis(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonate)
- 현지명
- 도큐세이트칼슘(500MG)
- 영어명
- DOCUSATE CALCIUM (500 MG)
- 분자식
- C20H40CaO7S
- 분자량
- 464.67
이름 및 동의어
DOCUSATE CALCIUM128-49-4Dioctyl calcium sulfosuccinateSurfak6K7YS503HC1,4-Bis(2-ethylhexyl) sulfosuccinate, calcium saltButanedioic acid, sulfo-, 1,4-bis(2-ethylhexyl) ester, calcium saltDTXSID2044212Kao TinStool Softener LaxativeRefChem:55060Preferred Stool Softener
이름 더 보기
도큐세이트칼슘(500MG)docusatecalciumDocusate calcium (2:1)DOCUSATE CALCIUM (500 MG)Docusate Calcium (1224700)calcium dioctyl sulfosuccinateDi-(2-ethylhexyl) calcium sulfosuccinateTIANFU-CHEM CAS:128-49-4 DOCUSATE CALCIUM (500 MG)calcium 1,4-bis(2-ethylhexyl) bis(2-sulphosuccinate)calcium,1,4-bis(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonateBis[3-sulfosuccinic acid 1,4-bis(2-ethylhexyl)]calcium salt
Rite Aid Stool SoftenerStool Softener DC LaxativeDTXCID0024212Good Neighbor Pharmacy Stool SoftenerDioctyl Sulfosuccinic Acid, Calcium Salt204-889-8Butanedioic acid,2-sulfo-, 1,4-bis(2-ethylhexyl) ester, calcium salt (2:1)calcium;1,4-bis(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonate
물성
구조 계산 물성
- 극성 표면적
- 236 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 34
- 무거운 원자 수
- 57
- 형식 전하
- 0
- 복잡도
- 526
물리화학적 성질
- 끓는 점
- 339 ℃[at · 339℃[at 101 325 Pa]
- 밀도
- 1.021 · 1.021[at 20℃]
- 증기압
- 0 Pa · 0Pa at 20℃
- 저장 조건
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- 용해도
- DMSO(약간 용해됨, 가열), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
- 수용성
- 6 g/L · 6g/L at 20℃
- 안정성
- 흡습성
- 주요 응용
- 의약품(소분자)
- InChI
- 1S/2C20H38O7S.Ca/c2*1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;/h2*16-18H,5-15H2,1-4H3,(H,23,24,25);/q;;+2/p-2
- InChIKey
- DWKPZOZZBLWFJX-UHFFFAOYSA-L
- SMILES
- [Ca+2].[S](=O)(=O)([O-])C(CC(=O)OCC(CCCC)CC)C(=O)OCC(CCCC)CC.[S](=O)(=O)([O-])C(CC(=O)OCC(CCCC)CC)C(=O)OCC(CCCC)CC
- LogP
- 8.9 at · 8.9 at 20℃
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 8.5% (5 of 59) of reports.
Warning
H315 (91.5%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 59 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Status: Active Update: 03-03-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/26439
1,4-Bis(2-ethylhexyl) sulfosuccinate, calcium salt: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesSkin Irrit. 2 (91.5%)
안전 데이터
- wgk
- WGK 3
- HS 번호
- 2917197055
- 기존화학 물질
- KE-32401
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Agents that modify interfacial tension of water; usually substances that have one lipophilic and one hydrophilic group in the molecule; includes soaps, detergents, emulsifiers, dispersing and wetting agents, and several groups of antiseptics.
응용 분야
용도Stool softener.
상·하류 제품 정보
상류 원료
공급사19 곳
国药集团化学试剂有限公司86-21-63210123 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
天津狄克特科技有限公司22-58627059 13920586291 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
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