기본 정보
- CAS
62-33-9- 표준 SMILES
O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Ca+2].[Na+].[Na+]- InChIKey
SHWNNYZBHZIQQV-UHFFFAOYSA-J- 분자식
- C10H12CaN2Na2O8
- 평균 분자량
- 374.27 g/mol
- 단동위원소 질량
- 374.0014948
개요
Edetate calcium disodium is a metal ion chelator used to reduce blood concentrations and depot stores of lead from the body. It is on the World Health Organization Model List of Essential Medicines. Edetate calcium disodium was granted FDA approval on 16 July 1953.
이름 및 식별자
- 우선 이름
- Calcium;disodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
- IUPAC
- calcium;disodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
- 현지명
- 에디에트산염 칼슘 이나트륨
- 영어명
- EDTA calcium disodium
- 분자식
- C10H12CaN2Na2O8.xH2O
- 분자량
- 374.27
이름 및 동의어
calcium;disodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetateEDTA, DISODIUM CALCIUM SALT TRIHYDRATED07934에디에트산염칼슘이나트륨칼시테트라세메이트다이소듐칼슘다이소듐이디티에이에디에트산염칼슘이나트륨소듐 칼슘 에데테이트에틸렌다이아민테트라아세트산, 칼슘 다이소듐 염칼슘 다이소듐 (에틸렌다이나이트릴로)테트라아세테이트칼슘 다이소듐 버세네이트칼슘 다이소듐 에데테이트
이름 더 보기
칼슘 다이소듐 에틸렌다이아민테트라아세테이트칼시에이트(2-), [[N,N'-1,2-에테인다이일비스[N-(카복시메틸)글리시네이토]](4-)-N,N',O,O',ON,ON']-, 다이소듐, (OC-6-21)-칼시에이트(2-), [[N,N'-1,2-에테인다이일비스[N-[(카복시-kO)메틸]글리시네이토-kN,kO]](4-)]-, 다이소듐, (OC-6-21)-칼시에이트(2-), [[N,N'-1,2-에테인다이일비스[N-[(카복시-kO)메틸]글리시네이토-kN,kO]](4-)]-, 소듐 (1:2), (OC-6-21)-칼시테트라세메이트 다이소듐EDETATE CALCIUM DISODIUMCALCIUM DISODIUM EDETATEE385Calcium edetate sodiumedtacalmosatiltetacinantallinchelatonedetamin
물성
구조 계산 물성
- 극성 표면적
- 167 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 342
실험 및 물리화학적 성질
Melting Point>300
물리화학적 성질
- 녹는점
- 300 °C · >300°C
- 저장 조건
- room temp
- 용해도
- 물에는 잘 녹고 에탄올에는 거의 녹지 않습니다(96%).
- 물리적 상태
- Liquid, solid
- 색상
- 오프 화이트
- 냄새
- 냄새 없는
- Merck
- 14 · 14,3517
- 안정성
- 안정적인. 강한 산화제와 호환되지 않습니다.
- 주요 응용
- 의약품(소분자)
- 화장품 원료 기능
- 킬레이팅
- InChI
- InChI=1S/C10H16N2O8.Ca.2Na/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;/q;+2;2*+1/p-4
- InChIKey
- SHWNNYZBHZIQQV-UHFFFAOYSA-J
- SMILES
- N(CCN(CC(=O)[O-])CC(=O)[O-])(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Ca+2]
- LogP
- -0.434 · -0.434 (est)
- EPA
- Calcium disodium ethylenediaminetetraacetate (62-33-9)
화학적 성질
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- EV7700000
- HS 번호
- 29349990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- 기존화학 물질
- KE-13649
- 스토리지 클래스
- 11 - Combustible Solids
- 유해 물질 데이터
- 62-33-9(Hazardous Substances Data)
화학 및 산업
약리 정보
Pharmacodynamics
Edetate calcium disodium is a polyvalent ion chelator used to remove lead from the body after lead poisoning. It has a wide therapeutic index, as overdoses must be well in excess of the therapeutic dose to show symptoms. It has a long duration of action, as doses are given at least a day apart. Patients should be counselled regarding the risk of increased intracranial pressure with intravenous infusions.
Mechanism of Action
Edetate calcium disodium distributes into tissues, such as the kidney and bone, where it chelates lead ions. The lead ions are then eliminated in the normal urinary excretion of edetate. Lead in certain tissues such as the liver and bone, redistribute to other tissues after edetate calcium disodium treatment, but lead levels do not decrease to levels seen in unexposed patients.
Biological Half-LifeThe half life of edetate calcium disodium is 20-60 minutes.
Metabolism/MetabolitesEdetate calcium disodium is almost completely unmetabolized _in vivo_.
Absorption, Distribution and Excretion
Calcium edetate disodium's Cmax and AUC are dependant on renal function. 5% of an oral dose is absorbed from the gastrointestinal tract.
Edetate calcium disodium is 95% eliminated in the urine within 24 hours. An oral dose in rats was 88.32% recovered in the feces and 10.30% recovered in the urine.
The volume of distribution of edetate calcium disodium is 0.19±0.10L/kg.
The mean clearance of edetate in 1 month olds is 54.6mL/min/1.73m<sup>2</sup>. 2-17 year olds have a mean clearance of 113.9±24.4mL/min/1.73m<sup>2</sup>.
응용 분야
용도EDTA calcium disodium is a sequestrant and chelating agent whose complete name is disodium calcium ethylenediamine tetraacetate. It is a nonhygroscopic powder that is colorless, odorless, and tasteless at recommended use levels. A 1% solution has a ph of 6.5–7.5. It is used to control the reaction of trace metals with some organic and inorganic components in food; to prevent deterioration of color, texture, and development of precipitates; and to prevent oxidation. Its function is comparable to that of disodium dihydrogen edta. It is also termed calcium disodium edta.
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