基本情報
- CAS
40632-25-5- 標準SMILES
Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1- InChIKey
UHDGCWIWMRVCDJ-XVFCMESISA-N- 分子式
- C9H13N3O5
- 平均分子量
- 243.22 g/mol
概要
Cytidine is a white crystalline powder. (NTP, 1992)
名称と識別子
- 優先名称
- Cytidine
- IUPAC
- 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
- 現地名
- シチジン‐5,6‐D2
- 英語名
- Cytidine-5,6-d2
- 分子式
- C9H13N3O5
- 分子量
- 243.22
名称と別名
cytidine65-46-3Cytosine riboside4-Amino-1-beta-D-ribofuranosyl-2(1H)-pyrimidinone1-beta-D-Ribofuranosylcytosinebeta-D-Ribofuranoside, cytosine-11beta-D-Ribofuranosylcytosine4-Amino-1beta-D-ribofuranosyl-2(1H)-pyrimidinone2(1H)-Pyrimidinone, 4-amino-1-beta-D-ribofuranosyl-5CSZ8459RPCHEBI:17562DTXSID60891552
名称をさらに表示
シチジン‐5,6‐D2シチジン-5,6-d２5,6-D2-CytidineCytidine-5,6-d2
4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-oneNSC-202584-amino-1-beta-D-ribofuranosylpyrimidin-2(1H)-one4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-2-oneRiboside, CytosineCytosine RibonucleosideRibonucleoside, Cytosine4-amino-1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl)pyrimidin-2-one
データベース識別子
- CAS
40632-25-5- ChEMBL
CHEMBL95606- ChEBI
CHEBI:17562- UNII
- 5CSZ8459RP
物性
構造計算による物性
- XLogP
- -2.1
- 極性表面積
- 129 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 5
- 回転可能結合数
- 2
- 重原子数
- 17
- 形式電荷
- 0
- 複雑度
- 383
実験および物理化学的性質
Chemical ClassesBiological Agents -> Nucleic Acids and Derivatives
DrugsPharmaceuticals -> Listed in ZINC15
SpringerMaterials PropertiesCrystal structure
LogP-2.51
Solubilitygreater than or equal to 100 mg/mL at 63 °F (NTP, 1992)
Melting Point
419 to 421 °F (decomposes) (NTP, 1992)
230.5 °C
Vapor PressureNegligible (NTP, 1992)
Physical Description
Cytidine is a white crystalline powder. (NTP, 1992)
Solid; [Merck Index] White hygroscopic solid; [CAMEO] White hygroscopic powder; [Acros Organics MSDS]
Solid
Collision Cross Section
159.5 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
154.47 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
148 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine]
149.8 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 83.3% (5 of 6) of all reports.
Warning
H315 (16.7%): 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 6 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: Cytidine
Cytidine: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Fire HazardsFlash point data for this compound are not available; however, it is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Exposure to this compound may cause irritation.
Hazards SummaryCauses somnolence in intraperitoneal lethal-dose studies of mice; [RTECS] May cause irritation; [Acros Organics MSDS]
Reactive GroupAlcohols and Polyols
Reactivity ProfileCYTIDINE is incompatible with strong oxidizing agents. (NTP, 1992). Will react as a weak base.
Air and Water ReactionsThis compound is hygroscopic. Water soluble.
化学と産業
薬理情報
Tissue LocationsAll Tissues
Cellular LocationsExtracellular
Metabolite PathwaysBeta Ureidopropionase Deficiency
用途と製造
UsesComponent of nucleic acids; [Merck Index] A pyrimidine nucleoside that is composed of the base CYTOSINE linked to the five-carbon sugar D-RIBOSE. [ChemIDplus] Used in biochemical research; [NTP]
General Manufacturing InformationCytidine: ACTIVE
応用分野
使用Cytidine-5,6-d2 (CAS# 40632-25-5) is a useful isotopically labeled research compound.
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Clearsynth Labs Limited+91-22-26355700 · [email protected]
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