기본 정보
- CAS
2004-06-0- 표준 SMILES
OCC1OC(n2cnc3c(Cl)ncnc32)C(O)C1O- InChIKey
XHRJGHCQQPETRH-UHFFFAOYSA-N- 분자식
- C10H11ClN4O4
- 평균 분자량
- 286.67 g/mol
- 단동위원소 질량
- 286.0468825
이름 및 식별자
- 우선 이름
- 6-Chloropurine ribonucleoside
- IUPAC
- 2-(6-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
- 현지명
- 6-클로로-9-(베타-D-아라비노푸라노실)퓨린
- 영어명
- 6-Chloro-9-(beta-D-arabinofuranosyl)purine
- 분자식
- C10H11ClN4O4
- 분자량
- 286.67174
이름 및 동의어
6-Chloropurine ribonucleoside2004-06-02-(6-chloro-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol6-Chloropurinosine6-Chloro-9-(beta-D-arabinofuranosyl)purine7596-60-31445875-46-6NSC49106-Chloronebularine2-(6-chloropurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol9H-Purine, 6-chloro-9-.beta.-D-ribofuranosyl-NSC 4910
이름 더 보기
6-클로로-9-(베타-D-아라비노푸라노실)퓨린9-(β-D-Arabinofuranosyl)-6-chloropurine9-b-D-arabinofuranosyl-6-chloro-9H-Purine9H-Purine, 9-β-D-arabinofuranosyl-6-chloro-(2R,3S,4S,5R)-2-(6-Chloro-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
NSC-49106-Chloropurine-9-b-D-ribofuranoside2-(6-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diolOprea1_484948SCHEMBL1858029DTXSID30862810(2R,3S,4S,5R)-2-(6-chloro-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol6-chloro-9-pentofuranosyl-9H-purine
데이터베이스 식별자
- CAS
2004-06-0、5399-87-1、7596-60-3- PubChem CID
- 221074
- DTXSID
DTXSID30862810- EC Number
- 217-904-8
물성
구조 계산 물성
- XLogP
- 0.3
- 극성 표면적
- 114 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 339
물리화학적 성질
- 끓는 점
- 614.8 · 614.8±65.0 °C(Predicted)
- 밀도
- 2.03 · 2.03
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 13.06 · 13.06±0.70(Predicted)
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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
Hazard Classes and CategoriesAcute Tox. 4 (50%)；Acute Tox. 4 (50%)；Skin Irrit. 2 (50%)；Eye Irrit. 2A (50%)；Acute Tox. 4 (50%)；STOT SE 3 (50%)
화학 및 산업
상·하류 제품 정보
상류 원료
공급사7 곳
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
济南尚博医药股份有限公司0531-61320525 15866703830 · [email protected]
医恩医疗系统研发(上海)有限公司021-58958002 18930822973 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
济南尚博生物科技有限公司+8615866703830 · [email protected]
重庆卡兰医药有限公司[email protected]
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