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Acide gadopentetique [French]

HCID 56841013
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
80529-93-7
표준 SMILES
O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CCN(CC(=O)[O-])CC(=O)[O-].[Gd+3].[H+].[H+]
InChIKey
IZOOGPBRAOKZFK-UHFFFAOYSA-K
분자식
C14H20GdN3O10
평균 분자량
547.57 g/mol
단동위원소 질량
548.03898

개요

A complex of gadolinium with a chelating agent, diethylenetriamine penta-acetic acid (DTPA see pentetic acid), that is given to enhance the image in cranial and spinal MRIs. (From Martindale, The Extra Pharmacopoeia, 30th ed, p706)

이름 및 식별자

우선 이름
Acide gadopentetique [French]
IUPAC
2-[bis[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate;gadolinium(3+);hydron
영어명
Gadopentetic acid
분자식
C14H20GdN3O10
분자량
547.57

이름 및 동의어

UNII-K2I13DR72LAcide gadopentetique [French]Acido gadopentetico [Spanish]Acidum gadopenteticum [Latin]Gadopentetic Acid [INN:BAN]Gadopentetic acid (Standard)orb1217633orb1307066HY-107353RHY-107353CS-0028202Gadolinate(2-), (N,N-bis(2-(bis(carboxymethyl)amino)ethyl)glycinato(5-))-, dihydrogen
이름 더 보기
GADOPENTETATEGd-DTPAGadopenteticGd acid spraygadoliniumdtpaGadopentatic AcidGadopentetic acidAcido gadopenteticoAcide gadopentetiqueAcidum gadopenteticum

데이터베이스 식별자

CAS
80529-93-7
PubChem CID
56841013

물성

구조 계산 물성

극성 표면적
210 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
13
회전 가능 결합 수
0
무거운 원자 수
28
형식 전하
0
복잡도
487

물리화학적 성질

녹는점
129 °C · 129 °C (dec.)(lit.)
저장 조건
Room Temperature
용해도
물(약간 용해됨)
물리적 상태
고체
색상
하얀색
InChI
InChI=1S/C14H23N3O10.Gd/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);/q;+3/p-3
InChIKey
IZOOGPBRAOKZFK-UHFFFAOYSA-K
SMILES
N(CC([O-])=O)(CCN(CC([O-])=O)CC(=O)O)CCN(CC([O-])=O)CC(=O)O.[Gd+3]

화학적 성질

white powder

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

안전 데이터

wgk
3
risk_code
36/37/38
hazard_code
Xi
safety_code
26-37/39
스토리지 클래스
11 - Combustible Solids

화학 및 산업

약리 정보

Mechanism of Action · 1건

Based on the behavior of protons when placed in a strong magnetic field, which is interpreted and transformed into images by magnetic resonance (MR) instruments. MR images are based primarily on proton density and proton relaxation dynamics. MR instruments are sensitive to two different relaxation processes, the T1 (spin-lattice or longitudinal relaxation time) and T2 (spin-spin or transverse relaxation time). Paramagnetic agents contain one or more unpaired electrons that enhance the T1 and T2 relaxation rates of protons in their molecular environment. The proton relaxation effect (PRE) of an unpaired electron is 700 times stronger than that of a proton itself. In MRI, visualization of normal and pathological brain tissue depends in part on variations in the radio frequency signal intensity that occur with changes in proton density, alteration of the T1, and variation in T2. When placed in a magnetic field, gadopentetate dimeglumine shortens the T1 and T2 relaxation times in tissues where it accumulates. In the central nervous system (CNS), gadopentetate dimeglumine enhances visualization of normal tissues that lack a blood-brain barrier, such as the pituitary gland and the meninges. Gadopentetate dimeglumine does not cross the intact blood-brain barrier; therefore, it does not accumulate in normal brain tissue or in CNS lesions that have not caused an abnormal blood-brain barrier (e.g., cysts, mature post-operative scars). Abnormal vascularity or disruption of the blood-brain barrier allows accumulation of gadopentetate dimeglumine in lesions such as neoplasms, abscesses, and subacute infarcts. Outside the CNS, gadopentetate dimeglumine rapidly reaches equilibrium in the interstitial compartment and enhances signal in all tissues as a function of delivery and size of the interstitial compartment. This compound has also been found to inhibit human erythrocyte 6-phosphogluconate dehydrogenase.

Biological Half-LifeDistribution half life 12 minutes, elimination half 100 minutes
Metabolism/MetabolitesNo detectable biotransformation or decomposition.
Absorption, Distribution and Excretion · 3건

Gadopentetate is exclusively eliminated in the urine with 83 ± 14% (mean ± SD) of the dose excreted within 6 hours and 91 ± 13% (mean ± SD) by 24 hours, post-injection.

관련 반응

0건
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화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트

266 ± 43 mL/kg

1.94 +/- 0.28 mL/min/kg [Normal subjects]

응용 분야

용도Gadopentetic Acid is a magnetic resonance contrast agent being used to develop a new platform for the delivery of therapeutic and imaging agents simultaneously to the colon.

공급사66 곳

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