Benzonitrile, 4-(5,6,7,8-tetrahydroimidazo(1,5-a)pyridin-5-yl)-, hydrochloride (1:1)

HCID 59694

Notes Reactions

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Basic information

CAS: 102676-31-3
Standard SMILES: Cl.N#Cc1ccc(C2CCCc3cncn32)cc1
InChIKey: UKCVAQGKEOJTSR-UHFFFAOYSA-N
Molecular formula: C14H14ClN3
Average molar mass: 259.73 g/mol
Monoisotopic mass: 259.08762513

Overview

Fadrozole hydrochloride is an imidazopyridine.

Names & identifiers

Preferred name: Benzonitrile, 4-(5,6,7,8-tetrahydroimidazo(1,5-a)pyridin-5-yl)-, hydrochloride (1:1)
IUPAC: 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile;hydrochloride

Names & synonyms

FADROZOLE HYDROCHLORIDE102676-31-3Fadrozole HClAfema4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile hydrochlorideBenzonitrile, 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)-, hydrochloride (1:1)ArensinFadrozole monohydrochlorideH0Q44H4ECQ4-(5,6,7,8-Tetrahydroimidazo(1,5-a)pyridin-5-yl)benzonitrile HydrochlorideBenzonitrile, 4-(5,6,7,8-tetrahydroimidazo(1,5-a)pyridin-5-yl)-, hydrochloride (1:1)Hydrochloride, Fadrozole

Show more names

RefChem:597145Monohydrochloride, Fadrozole631-311-5CGS 16949AFadrozole.HClFadrozole hydrochloride [USAN]DTXSID4020618Fadrozole (hydrochloride)

Database identifiers

CAS: 102676-31-3
PubChem CID: 59694
DTXSID: DTXSID4020618
ChEMBL: CHEMBL468419
ChEBI: CHEBI:31589
UNII: H0Q44H4ECQ
EC Number: 631-311-5

Properties

Computed structural propertiesFilling in

Topological polar surface area: 41.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 18
Formal charge: 0
Complexity: 311

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P203, P264, P270, P280, P301+P316, P318, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (100%)

Chemistry & industry

Pharmacology

MeSH Pharmacological Classification · 3 items

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.