기본 정보
- 표준 SMILES
Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1- InChIKey
UHDGCWIWMRVCDJ-XVFCMESISA-N- 분자식
- C9H13N3O5
- 평균 분자량
- 243.22 g/mol
- 단동위원소 질량
- 243.08552052
개요
Cytidine is a white crystalline powder. (NTP, 1992)
이름 및 식별자
- 우선 이름
- Cytidine
- IUPAC
- 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
이름 및 동의어
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
이름 더 보기
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
데이터베이스 식별자
- CAS
65-46-3- PubChem CID
- 6175
- DTXSID
DTXSID60891552- ChEMBL
CHEMBL95606- ChEBI
CHEBI:17562- UNII
- 5CSZ8459RP
- EC Number
- 200-610-9
- Nikkaji
- J4.837B
물성
구조 계산 물성
- XLogP
- -2.1
- 극성 표면적
- 129 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 383
실험 및 물리화학적 성질
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]+
안전 및 규제
GHS 분류
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.
유해성 정보
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%)
안전 및 보호
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)
화학 및 산업
약리 정보
Tissue LocationsAll Tissues
Cellular LocationsExtracellular
Metabolite PathwaysBeta Ureidopropionase Deficiency
용도 및 제조
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
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56건
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