기본 정보
- CAS
12111-24-9- 표준 SMILES
O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CCN(CC(=O)[O-])CC(=O)[O-].[Ca+2].[Na+].[Na+].[Na+]- InChIKey
AYFCVLSUPGCQKD-UHFFFAOYSA-I- 분자식
- C14H18CaN3O10.3Na
- 평균 분자량
- 497.35 g/mol
- 단동위원소 질량
- 497.0311175
개요
Pentetate Calcium Trisodium is the trisodium salt form of calcium diethylene triamine pentaacetate (Ca-DTPA or pentetate calcium) with chelating activity. Upon administration, Ca-DTPA loses the Ca ion to form stable chelates with metal ions because DTPA has a higher affinity for heavy metal ions than for Ca ions. Specifically, this agent is able to bind to and form strong complexes with radioactive plutonium, americium, and cerium after internal contamination with any of these radionuclides thereby increasing their excretion.
이름 및 식별자
- 우선 이름
- Pentetate Calcium Trisodium
- IUPAC
- calcium;trisodium;2-[bis[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate
- 현지명
- 칼슘삼나트륨펜테테이트
- 영어명
- calcium trisodium pentetate
- 분자식
- C14H18CaN3NaO10(-2)
- 분자량
- 451.38
이름 및 동의어
Pentetate calcium trisodiumCalcium trisodium pentetate12111-24-9Calcium trisodium DTPAPentacinePentetate de calcium trisodiqueNSC-34249pentetato calcio y trisodioCalcii trinatrii pentetasG79YN26H5BDTXSID8065248Calcium trisodium diethylenetriamine pentaacetate
이름 더 보기
칼슘삼나트륨펜테테이트CALCIUMDTPAPentetate sodium calcium CRScalcium trisodium pentetate USP/EP/BPCalciate(3-), [N,N-bis[2-[bis(carboxymethyl) amino]ethyl]glycinato(5-)]-, trisodiumCalciate(3-), [N-[2-[bis[(carboxy-κO)methyl]amino-κN]ethyl]-N-[2-[[(carboxy-κO)methyl](carboxymethyl)amino-κN]ethyl]glycinato(5-)-κN]-, sodium (1:3)Calciate(3-), [N-[2-[bis[(carboxy-kO)Methyl]aMino-kN]ethyl]-N-[2-[[(carboxy-kO)Methyl](carboxyMethyl)aMino-kN]ethyl]glycinato(5-)-kN]-, sodiuM (1:3)
NSC34249Trisodium calcium diethylenetriaminepentaacetateDitripentat-HeylRefChem:56261DTXCID8033693235-169-162796-80-9Ditripental
데이터베이스 식별자
- CAS
12111-24-9- PubChem CID
- 25513
- DTXSID
DTXSID8065248- ChEMBL
CHEMBL1200945- UNII
- G79YN26H5B
- EC Number
- 235-169-1
- Nikkaji
- J122.455G
물성
구조 계산 물성
- 극성 표면적
- 210 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 454
실험 및 물리화학적 성질
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
물리화학적 성질
- 저장 조건
- 2 · 2-8°C
- 주요 응용
- 의약품(소분자)
- InChIKey
- AYFCVLSUPGCQKD-UHFFFAOYSA-I
- SMILES
- [Ca+2].[Na+].[Na+].[Na+].N(CCN(CC(=O)[O-])CC(=O)[O-])(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-]
- EPA
- Calciate(3-), [N-[2-[bis[(carboxy-.kappa.O)methyl]amino-.kappa.N]ethyl]-N-[2-[[(carboxy-.kappa.O)methyl](carboxymethyl)amino-.kappa.N]ethyl]glycinato(5-)-.kappa.N]-, sodium (1:3) (12111-24-9)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory InformationChemical: Calciate(3-), [N,N-bis[2-[bis(carboxymethyl)amino]ethyl]glycinato(5-)]-, trisodium
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
안전 데이터
- tsca
- TSCA listed
- 독성
- LD50 i.p. in rats: 3.8 g/kg (Dagirmanjian)
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Agents counteracting or neutralizing the action of POISONS.
Chemicals that bind to and remove ions from solutions. Many chelating agents function through the formation of COORDINATION COMPLEXES with METALS.
Organic chemicals that form two or more coordination links with an iron ion. Once coordination has occurred, the complex formed is called a chelate. The iron-binding porphyrin group of hemoglobin is an example of a metal chelate found in biological systems.
용도 및 제조
General Manufacturing InformationCalciate(3-), [N-[2-[bis[(carboxy-.kappa.O)methyl]amino-.kappa.N]ethyl]-N-[2-[[(carboxy-.kappa.O)methyl](carboxymethyl)amino-.kappa.N]ethyl]glycinato(5-)-.kappa.N]-, sodium (1:3): ACTIVE
응용 분야
용도Chelating agent (plutonium).
공급사11 곳
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安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
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