基本情報
- 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
- 単同位体質量
- 243.08552052
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
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
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
65-46-3- PubChem CID
- 6175
- DTXSID
DTXSID60891552- ChEMBL
CHEMBL95606- ChEBI
CHEBI:17562- UNII
- 5CSZ8459RP
- EC Number
- 200-610-9
- Nikkaji
- J4.837B
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)]
151.1 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
159.5 Ų [M+Na]+
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.
Hazard Classes and CategoriesSkin Irrit. 2 (16.7%)
安全と保護具
Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. A water spray may also be used. (NTP, 1992)
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Personal Protective Equipment (PPE)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
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
関連反応
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