Citiolone

HCID 14520
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기본 정보

CAS
1195-16-0
표준 SMILES
CC(=O)NC1CCSC1=O
InChIKey
NRFJZTXWLKPZAV-UHFFFAOYSA-N
분자식
C6H9NO2S
평균 분자량
159.21 g/mol
단동위원소 질량
159.0353997

이름 및 식별자

우선 이름
Citiolone
IUPAC
N-(2-oxothiolan-3-yl)acetamide
영어명
Citiolone
분자식
C6H9NO2S
분자량
159.21

이름 및 동의어

citiolone1195-16-0Acetamide, N-(tetrahydro-2-oxo-3-thienyl)-N-(2-oxothiolan-3-yl)acetamideN-(TETRAHYDRO-2-OXO-3-THIENYL)ACETAMIDEN-Acetylhomocysteine thiolactoneCitiolonaCitiolonumDTXSID004588870JKL15MUHNSC-22878DTXCID8025888
이름 더 보기
N-ACETYL-DL-HOMOCYSTEINE THIOLACTONEcdpcWest for walterCitiolone USP/EP/BPLABOTEST-BB LT00112293citicoline diphosphate cholineDL-N-ACETYLHOMOCYSTEINETHIOLACTINEAcetyl-DL-homocysteine thiolactone
cythioloneRefChem:126509A05BA04214-793-8241-841-517896-21-8CitiolaseDL-N-Acetylhomocysteine thiolactone

데이터베이스 식별자

CAS
1195-16-0、17896-21-8
PubChem CID
14520
DTXSID
DTXSID0045888
ChEMBL
CHEMBL2104457
ChEBI
CHEBI:94403
UNII
70JKL15MUH
EC Number
214-793-8、241-841-5
Nikkaji
J7.308C

물성

구조 계산 물성

XLogP
-0.3
극성 표면적
71.5 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
1
무거운 원자 수
10

실험 및 물리화학적 성질

Collision Cross Section · 1건

126.7 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]；132.49 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]；149.02 Ų [M+K]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]；136.17 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

물리화학적 성질

녹는점
109 · 109-111 °C
밀도
1.202 · 1.202 (estimate)
굴절률
1.55 · 1.5500 (estimate)
저장 조건
-20 °C · -20°C
물리적 상태
결정성 분말
색상
흰색에서 황백색까지

화학적 성질

White to off-white crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory InformationChemical: Acetamide, N-(tetrahydro-2-oxo-3-thienyl)-
Other Safety InformationIMAP assessments - Acetamide, N-(tetrahydro-2-oxo-3-thienyl)-: Environment tier I assessment；IMAP assessments - Acetamide, N-(tetrahydro-2-oxo-3-thienyl)-: Human health tier I assessment
Hazard Classes and CategoriesAcute Tox. 3 (100%)

규제 정보

Regulatory InformationChemical: Acetamide, N-(tetrahydro-2-oxo-3-thienyl)-

안전 데이터

wgk
3
rtecs
AC8680000
독성
mouse,LD50,intravenous,1200mg/kg (1200mg/kg),Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 72, 1958.
HS 번호
29349990
risk_code
25
hazard_code
T

화학 및 산업

약리 정보

ATC Code · 2건

A - Alimentary tract and metabolism；A05 - Bile and liver therapy；A05B - Liver therapy, lipotropics；A05BA - Liver therapy；A05BA04 - Citiolone

QA - Alimentary tract and metabolism；QA05 - Bile and liver therapy；QA05B - Liver therapy, lipotropics；QA05BA - Liver therapy；QA05BA04 - Citiolone

용도 및 제조

General Manufacturing InformationAcetamide, N-(tetrahydro-2-oxo-3-thienyl)-: INACTIVE

공급사87 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]

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