7-デアザヒポキサンチン

7-Deazahypoxanthine

HCID 135408689CAS 3680-71-5
部分構造検索類似構造を探す

基本情報

標準SMILES
O=c1[nH]cnc2[nH]ccc12
InChIKey
FBMZEITWVNHWJW-UHFFFAOYSA-N
分子式
C6H5N3O
平均分子量
135.12 g/mol
単同位体質量
135.04326179

名称と識別子

優先名称
7-Deazahypoxanthine
IUPAC
3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
現地名
7-デアザヒポキサンチン
英語名
Pyrrolo[2,3-d]pyrimidin-4-ol
分子式
C6H5N3O
分子量
135.12

名称と別名

3680-71-57-Deazahypoxanthine3,7-Dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one4-Hydroxypyrrolopyrimidine1,7-DIHYDRO-4H-PYRROLO[2,3-D]PYRIMIDIN-4-ONENSC 59251NSC 1241641,7-Dihydro-4H-pyrrolo(2,3-d)pyrimidin-4-oneDTXSID301902813,7-Dihydro-4H-pyrrolo(2,3-d)pyrimidin-4-oneRefChem:105983DTXCID40112772
名称をさらに表示
7-デアザヒポキサンチン3,7-ジヒドロ-4H-ピロロ[2,3-d]ピリミジン-4-オン3H-ピロロ[2,3-D]ピリミジン-4(7H)-オン7H-ピロロ[2,3-D]ピリミジン-4-オール1H-Pyrrolo[2,3-d]pyrimidin-4-ol3,7-DIHYDRO-PYRROLO[2,3-D]PYRIMIDIN-4-ONE1,7-dih7-Deaza-6-hydroxy
FBMZEITWVNHWJW-UHFFFAOYSA-N7H-Pyrrolo[2,3-d]pyrimidin-4-olPyrrolo[2,3-d]pyrimidin-4-ol3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one4-hydroxypyrrolo[2,3-d]pyrimidine1H-PYRROLO[2,3-D]PYRIMIDIN-4(7H)-ONE1194710-85-44-Hydroxy-7H-pyrrolo[2,3-d]pyrimidine

データベース識別子

CAS
3680-71-5
PubChem CID
135408689
DTXSID
DTXSID30190281
ChEMBL
CHEMBL186582
UNII
8W6UF5S8F3
EC Number
640-613-6
Nikkaji
J641.018I

物性

構造計算による物性

XLogP
-0.2
極性表面積
57.3 Ų
水素結合供与体数
2
水素結合受容体数
2
回転可能結合数
0
重原子数
10

物理化学的性質

融点
345 · 345-348°C
沸点
473.1 · 473.1±18.0 °C(Predicted)
比重(密度)
1.62 · 1.62±0.1 g/cm3(Predicted)
貯蔵温度
2 · 2-8°C
溶解性
ジメチルスルホキシドに可溶。
外見
個体

化学的性質

化学的特性Colourless Crystalline Solid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (12.8%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (89.4%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (10.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 6 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.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (12.8%)；Skin Sens. 1 (89.4%)；Eye Irrit. 2 (100%)；STOT SE 3 (10.6%)

安全データ

wgk
3
hs_code
29335990
risk_code
36-43
hazard_code
Xi
safety_code
26-36/37
hazard_class
IRRITANT

化学と産業

応用分野

使用Xanthine oxidase-activated prodrug of thymidine phosphorylase inhibitor

上流・下流製品情報

サプライヤー50 社

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
Ark Pharm, Inc.847-367-3680 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]

関連反応

11 件
反応記録を作成

関連ノート

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