HCID59693

Fadrozole

4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile

C14H13N3223.27 g/molCAS 102676-47-1

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IDENTITY

结构与身份

标准SMILES: N#Cc1ccc(C2CCCc3cncn32)cc1
InChIKey: CLPFFLWZZBQMAO-UHFFFAOYSA-N
分子式: C14H13N3
平均分子量: 223.27 g/mol
单同位素质量: 223.11094743

COMPUTED

结构计算性质

已同步

XLogP: 2.1
极性表面积: 41.6 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 1
重原子: 17
形式电荷: 0
复杂度: 311

PROPERTIES

实验与物化性质

来源：PubChem

Collision Cross Section

157.2 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID4020618]；157.0 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID4020618]；157.3 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID5034141]

GHS

GHS分类

来源：PubChem

GHS Classification

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

HAZARDS

危害信息

来源：PubChem

Hazard Classes and Categories

Acute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)

TOXICITY

毒理信息

来源：PubChem

USGS Health-Based Screening Levels for Evaluating Water-Quality

Fadrozole

Pharmaceutical

Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP

PHARMACOLOGY

药理信息

来源：PubChem

MeSH Pharmacological Classification

Compounds which inhibit or antagonize the action or biosynthesis of estrogenic compounds.

Antineoplastic agents that are used to treat hormone-sensitive tumors. Hormone-sensitive tumors may be hormone-dependent, hormone-responsive, or both. A hormone-dependent tumor regresses on removal of the hormonal stimulus, by surgery or pharmacological block. Hormone-responsive tumors may regress when pharmacologic amounts of hormones are administered regardless of whether previous signs of hormone sensitivity were observed. The major hormone-responsive cancers include carcinomas of the breast, prostate, and endometrium; lymphomas; and certain leukemias. (From AMA Drug Evaluations Annual 1994, p2079)

Compounds that inhibit AROMATASE in order to reduce production of estrogenic steroid hormones.

ALIASES

名称与别名

共 79 条

FADROZOLE102676-47-14-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrileFadrozolFadrozolumBenzonitrile, 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)-DTXSID5034141H3988M64PUCGS020286ABenzonitrile, 4-(5,6,7,8-tetrahydroimidazo(1,5-a)pyridin-5-yl)-4-(5,6,7,8-Tetrahydroimidazo(1,5-a)pyridin-5-yl)benzonitrile4-(5,6,7,8-tetrahydroimidazo(5,1-f)pyridin-5-yl)benzonitrile4-(5,6,7,8-tetrahydroimidazo[5,1-f]pyridin-5-yl)benzonitrileFAD286CGS-020286ARefChem:597144DTXCID3014141CGS16949AFAD-286Fadrozole [INN]

REACTIONS