CAS 144-02-5 Barbital Sodium (HCID 23681217)

기본 정보

CAS: 144-02-5
표준 SMILES: CCC1(CC)C(=O)N=C([O-])NC1=O.[Na+]
InChIKey: RGHFKWPGWBFQLN-UHFFFAOYSA-M
분자식: C8H11N2NaO3
평균 분자량: 206.17 g/mol
단동위원소 질량: 206.06673649

개요

이름 및 식별자

우선 이름: Barbital Sodium
IUPAC: sodium 5,5-diethyl-4,6-dioxo-1H-pyrimidin-2-olate

이름 및 동의어

Barbital sodiumSodium barbitalVeronal sodiumBarbitone sodiumSodium barbitoneSodium 5,5-diethylbarbiturateNatrinalNervosetonSoprinalThyaloneEmbinalSodium veronal

이름 더 보기

Barbital solubleSoluble barbitalBarbital NaBarbitalum-natriumSodium malonylureaSodium ethylbarbitalBarbital sodicoNatriumbarbitals

데이터베이스 식별자

CAS: 144-02-5
PubChem CID: 23681217
DTXSID: DTXSID3020128
ChEMBL: CHEMBL2105904
EC Number: 205-613-9

물성

구조 계산 물성

극성 표면적: 81.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 284

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Pyrimidines

Physical DescriptionSolid; [Merck Index] White fine crystals and fragments; [Sigma-Aldrich MSDS]

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 2.3% (1 of 43) of reports.

Warning

H302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 4 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 2건

Status: Active Update: 22-01-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/27233

Barbital sodium: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-diethyl-, monosodium salt: Environment tier I assessment

Hazards Summary · 1건

Causes general anesthesia in intravenous lethal-dose studies of dogs and rabbits; Causes other changes of the liver, kidney, and bladder and changes in liver weight 40-week oral studies of mice; [RTECS] May cause irritation; Harmful by ingestion; May cause allergic reactions in sensitive individuals; [Sigma-Aldrich MSDS] See Barbituric acid.

Hazard Classes and CategoriesAcute Tox. 4 (97.7%)

독성 정보

Adverse EffectsNeurotoxin - Other CNS neurotoxin

화학 및 산업

용도 및 제조

UsesUsed as a biological buffer and therapeutic sedative and hypnotic (controlled substance); [Merck Index] Used as a laboratory chemical and in the manufacture of substances; [Sigma-Aldrich MSDS]