기본 정보
- CAS
1949-45-7- 표준 SMILES
CC(=O)Nc1c(I)c(C(=O)O)c(I)c(N(C)C(C)=O)c1I- InChIKey
GGGDNPWHMNJRFN-UHFFFAOYSA-N- 분자식
- C12H11I3N2O4
- 평균 분자량
- 627.94 g/mol
- 단동위원소 질량
- 627.7853
개요
Metrizoic acid is a monocarboxylic acid. It has a role as a radioopaque medium.
이름 및 식별자
- 우선 이름
- Metrizoic Acid
- IUPAC
- 3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodobenzoic acid
- 현지명
- Metrizoic산
- 영어명
- Metrizoic acid
- 분자식
- C12H11I3N2O4
- 분자량
- 627.94
이름 및 동의어
Metrizoic acid1949-45-7MetrizoateAcide metrizoiqueAcidum metrizoicumCM1N99QR1MBenzoic acid, 3-(acetylamino)-5-(acetylmethylamino)-2,4,6-triiodo-V08AA023-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodobenzoic acidDTXSID6023311CHEBI:348473-(acetylamino)-5-[acetyl(methyl)amino]-2,4,6-triiodobenzoic acid
이름 더 보기
Metrizoic산MetrizoicTriosil-280MetrizoicAcid>Metrizoic acid USP/EP/BPMethyl pantothyronine acid3-Acetamido-2,4,6-triiodo-5-(N-methylacetamido)3,5-DiacetaMido-N-Methyl-2,4,6-triiodobenzoic Acid3-acetamido-2,4,6-triiodo-5-N-methylacetamidobenzoic acid
3-(Acetylamino)-5-(acetyl(methyl)amino)-2,4,6-triiodobenzoic acid3-acetamido-5-(acetyl(methyl)amino)-2,4,6-triiodobenzoic acidRefChem:64447DTXCID603311217-761-13-acetamido-2,4,6-triiodo-5-(N-methylacetamido)benzoic acidMetrizoic Acid [JAN]MFCD00867964
데이터베이스 식별자
- CAS
1949-45-7- PubChem CID
- 2528
- DTXSID
DTXSID6023311- ChEMBL
CHEMBL1736- ChEBI
CHEBI:34847- UNII
- CM1N99QR1M
- EC Number
- 217-761-1
- Nikkaji
- J7.828J
물성
구조 계산 물성
- XLogP
- 1.9
- 극성 표면적
- 86.7 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 448
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
물리화학적 성질
- 녹는점
- 281 · 281-282°
- 끓는 점
- 678.8 · 678.8±55.0 °C(Predicted)
- 밀도
- 2.314 · 2.3140 (estimate)
- 저장 조건
- 2 · 2-8°C(protect from light)
- 용해도
- 에 용해됨DMSO
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 0.82 · 0.82±0.10(Predicted)
- 색상
- 하얀색
- Merck
- 14 · 14,6156
- EPA
- 3 · Benzoic acid, 3-(acetylamino)-5-(acetylmethylamino)-2,4,6-triiodo- (1949-45-7)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Other Safety InformationIMAP assessments - Benzoic acid, 3-(acetylamino)-5-(acetylmethylamino)-2,4,6-triiodo-: Environment tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- rtecs
- DG0887300
- HS 번호
- 2924.29.7790
- risk_code
- 36/37/38
- safety_code
- 26-36/37/39
화학 및 산업
약리 정보
ATC Code
V - Various
QV - Various
Mechanism of ActionThe mechanism of action of metrizoic acid is as an X-Ray contrast activity.
FDA Pharmacological Classification
CM1N99QR1M
METRIZOIC ACID
Established Pharmacologic Class [EPC] - Radiographic Contrast Agent
Mechanisms of Action [MoA] - X-Ray Contrast Activity
Metrizoic acid is a Radiographic Contrast Agent. The mechanism of action of metrizoic acid is as a X-Ray Contrast Activity.
MeSH Pharmacological ClassificationSubstances used to allow enhanced visualization of tissues.
응용 분야
용도Diagnosis aid (radiopaque medium).
상·하류 제품 정보
상류 원료
공급사41 곳
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