CAS 5624-26-0 5-Hydantoinpropionic acid (HCID 782)

기본 정보

CAS: 5624-26-0
표준 SMILES: O=C(O)CCC1NC(=O)NC1=O
InChIKey: VWFWNXQAMGDPGG-UHFFFAOYSA-N
분자식: C6H8N2O4
평균 분자량: 172.14 g/mol
단동위원소 질량: 172.04840674

개요

Hydantoin-5-propionic acid is a imidazolidine-2,4-dione that is hydantoin substituted by a 2-carboxyethyl group at position 4. It has a role as a metabolite and a mouse metabolite. It is an imidazolidine-2,4-dione and a monocarboxylic acid. It is functionally related to a hydantoin. It is a conjugate acid of a hydantoin-5-propionate.

이름 및 식별자

우선 이름: 5-Hydantoinpropionic acid
IUPAC: 3-(2,5-dioxoimidazolidin-4-yl)propanoic acid
현지명: 3-(2,5-디옥소이미다졸리딘-4-일)프로판산
영어명: 3-(2,5-dioxoimidazolidin-4-yl)propanoic acid
분자식: C6H8N2O4
분자량: 172.14

이름 및 동의어

5624-26-0Hydantoin-5-propionic acid4-Imidazolidinepropanoic acid, 2,5-dioxo-CHEBI:282971-(2,4-(3H,5H)Imidazoledione)propionic acid5-Hydantoinpropionic acidRefChem:7886003-(2,5-dioxoimidazolidin-4-yl)propanoic acidHydantoin-propionate3-(2,5-Dioxo-imidazolidin-4-yl)-propionic acid3-(2,5-dioxo-4-imidazolidinyl)propanoic acidCarglumic Acid Impurity 8

이름 더 보기

3-(2,5-디옥소이미다졸리딘-4-일)프로판산HYDANTOIN-5-PROPIONATERacemic glutamate impurity A3-(2,5-diketoimidazolidin-4-yl)propionic acid3-(2,5-dioxoimidazolidin-4-yl)propanoic acid(SALTDATA: FREE)

MFCD027379843-(2,5-dioxo-1,3-diazolidin-4-yl)propanoic acidL-Hydantoin-5-propionic acidL-Hydantoin-5-propionic acid; Carglumic Acid Related Compound A;NSC 23606Carglumic Acid impurity 01Oprea1_310966Oprea1_558366

데이터베이스 식별자

CAS

물성

구조 계산 물성

XLogP: -1.2
극성 표면적: 95.5 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 238

실험 및 물리화학적 성질

Physical DescriptionSolid

물리화학적 성질

녹는점: 179 · 179-181 °C(Solv: water (7732-18-5))
밀도: 1.405 · 1.405±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 4.37 · 4.37±0.10(Predicted)
색상: 흰색에서 황백색까지
안정성: 흡습성

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (50%)

안전 데이터

위험 등급: IRRITANT

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

응용 분야

용도3-(2,5-Dioxoimidazolidin-4-yl)propanoic Acid is defined as combinational markers to distinguish hepatocellular carcinoma (HCC) from cirrhosis (CIR).

공급사20 곳

艾吉析科技（上海）有限公司17717235263 · [email protected]

上海硅兰医药科技有限公司17301772648; 17301772648 · [email protected]

武汉凯威斯科技有限公司86-027-67849912 · [email protected]

孟成科技（上海）有限公司400-820-6829 · [email protected]

深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]

화합물 노트

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3-(2,5-디옥소이미다졸리딘-4-일)프로판산