피라진카르복시산

2-Pyrazinecarboxylic acid

HCID 1047CAS 98-97-5
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기본 정보

표준 SMILES
O=C(O)c1cnccn1
InChIKey
NIPZZXUFJPQHNH-UHFFFAOYSA-N
분자식
C5H4N2O2
평균 분자량
124.1 g/mol
단동위원소 질량
124.02727737

개요

Pyrazine-2-carboxylic acid is the parent compound of the class of pyrazinecarboxylic acids, that is pyrazine bearing a single carboxy substituent. The active metabolite of the antitubercular drug pyrazinamide. It has a role as an antitubercular agent and a drug metabolite. It is a conjugate acid of a pyrazine-2-carboxylate.

이름 및 식별자

우선 이름
2-Pyrazinecarboxylic acid
IUPAC
pyrazine-2-carboxylic acid
현지명
피라진카르복시산
영어명
2-Pyrazinecarboxylic acid
분자식
C5H4N2O2
분자량
124.1

이름 및 동의어

Pyrazine-2-carboxylic acid2-Pyrazinecarboxylic acid98-97-5pyrazinoic acidpyrazinecarboxylic acidParadiazinecarboxylic acidpyrazinemonocarboxylic acidNSC-13146CHEBI:71311DTXSID302433672WB23298SPRefChem:177455
이름 더 보기
피라진카르복시산2-피라진카복실산2-피라진카르복실산NSC 13146NSC 27192NSC 13146-d3NSC 27192-d3Pyrazoic acidPyrazinecarboxyL
CHEBI:48345DTXCID30165858202-718-1Pyrazinic acid2-Carboxypyrazine2-Pyrazine carboxylic acid2-Pyrazinoic acidPiazinecarboxylic acid

데이터베이스 식별자

CAS
98-97-5
PubChem CID
1047
DTXSID
DTXSID30243367
ChEMBL
CHEMBL613
ChEBI
CHEBI:71311
UNII
2WB23298SP
EC Number
202-718-1
Nikkaji
J11.623H

물성

구조 계산 물성

XLogP
0.1
극성 표면적
63.1 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
4
회전 가능 결합 수
1
무거운 원자 수
9

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Pyrazines
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Physical DescriptionWhite solid; [Merck Index] White or off-white powder; [Alfa Aesar MSDS]

물리화학적 성질

녹는점
222 · 222-225 °C (dec.)(lit.)
끓는 점
230.85 °C · 230.85°C (rough estimate)
밀도
1.4317 · 1.4317 (rough estimate)
증기압
0.011 Pa · 0.011Pa at 25℃
굴절률
1.48 · 1.4800 (estimate)
저장 조건
Keep in dark place,Sealed in dry,Room Temperature

화학적 성질

WHITE TO OFF-WHITE CRYSTALLINE POWDER

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 82.4% (14 of 17) of all reports.

Warning

H315 (17.6%): 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)

Aggregated GHS information provided per 17 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: Pyrazinecarboxylic acid

Status: Cease Manufacture Update: 28-06-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19785

Pyrazinecarboxylic acid: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryMay cause irritation; [Alfa Aesar MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (17.6%)

안전 데이터

wgk
3
HS 번호
29339990
risk_code
11-34
hazard_code
Xi,C,F
safety_code
22-24/25-45-36/37/39-26-16
스토리지 클래스
11 - Combustible Solids

화학 및 산업

약리 정보

Tissue LocationsKidney
Cellular LocationsCytoplasm

응용 분야

용도Pyrazinecarboxylic Acid is a very potent urate retaining drug. Pyrazinecarboxylic Acid is a metabolite of the antibacterial agent Pyrazinamide (P840600).

상·하류 제품 정보

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]

추가 설명

정의ChEBI: The parent compound of the class of pyrazinecarboxylic acids, that is pyrazine bearing a single carboxy substituent. The active metabolite of the antitubercular drug pyrazinamide.

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