8-クロロ-6-(o-クロロフェニル)-4H-[1,2,4]トリアゾロ[4,3-a][1,4]ベンゾジアゼピン-1-メタノール

alpha-Hydroxytriazolam

HCID 1963CAS 37115-45-0

基本情報

標準SMILES
OCc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2
InChIKey
BHUYWUDMVCLHND-UHFFFAOYSA-N
分子式
C17H12Cl2N4O
平均分子量
359.2 g/mol
単同位体質量
358.0388164

名称と識別子

優先名称
alpha-Hydroxytriazolam
IUPAC
[8-chloro-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methanol
現地名
8-クロロ-6-(o-クロロフェニル)-4H-[1,2,4]トリアゾロ[4,3-a][1,4]ベンゾジアゼピン-1-メタノール
英語名
ALPHA-HYDROXYTRIAZOLAM
分子式
C17H12Cl2N4O
分子量
359.21

名称と別名

alpha-Hydroxytriazolam37115-45-01-Hydroxymethyltriazolam[8-chloro-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methanolJ53Y2M2SAH4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine-1-methanol, 8-chloro-6-(2-chlorophenyl)-DTXSID50958284(8-chloro-6-(2-chlorophenyl)-4H-(1,2,4)triazolo(4,3-a)(1,4)benzodiazepin-1-yl)methanolRefChem:555758DTXCID50908507636-834-21'-Hydroxy Triazolam
名称をさらに表示
1-ヒドロキシメチルトリアゾラム8-クロロ-6-(2-クロロフェニル)-1-(ヒドロキシメチル)-4H-[1,2,4]トリアゾロ[4,3-a][1,4]ベンゾジアゼピンα-ヒドロキシトリアゾラム8-クロロ-6-(o-クロロフェニル)-4H-[1,2,4]トリアゾロ[4,3-a][1,4]ベンゾジアゼピン-1-メタノール[12-クロロ-9-(2-クロロフェニル)-2,4,5,8-テトラアザトリシクロ[8.4.0.02,6]テトラデカ-1(14),3,5,8,10,12-ヘキサエン-3-イル]メタノール1HydroxyTriazolamα-HydroxytriazolamA-hydroxytriazolamα-hydroxy Triazolam (CRM)α-Hydroxytriazolam solutionα-Hydroxytriazolam solutionalpha-Hydroxytriazolam solutionALPHA-HYDROXYTRIAZOLAM,100/MLINMETHANOL
1'-hydroxytriazolam1'-Hydroxy Triazolam (1.0 mg/mL in DMSO)?-hydroxy Triazolam1-Hydroxy Triazolam.alpha.-hydroxy-triazolamUNII-J53Y2M2SAHorb3143450.ALPHA.-HYDROXYTRIAZOLAM

データベース識別子

CAS
37115-45-0
PubChem CID
1963
DTXSID
DTXSID50958284
ChEMBL
CHEMBL3246753
ChEBI
CHEBI:166535
UNII
J53Y2M2SAH
EC Number
636-834-2
Nikkaji
J435.417F

物性

構造計算による物性

XLogP
1.2
極性表面積
63.3 Ų
水素結合供与体数
1
水素結合受容体数
4
回転可能結合数
2
重原子数
24

実験および物理化学的性質

Kovats Retention Index3020

物理化学的性質

融点
239 · 239-241°C
沸点
581.7 · 581.7±60.0 °C(Predicted)
比重(密度)
1.54 · 1.54±0.1 g/cm3(Predicted)
闪点
9 ℃ · 9℃
貯蔵温度
-20 °C · Controlled Substance, -20°C Freezer
溶解性
DMF (Slightly), DMSO (Slightly)

化学的性質

化学的特性Light Green Solid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal];H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation];H361 (97.5%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]

P203, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 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.

危険有害性情報

Regulatory Information · 1 件

4H-1,2,4Triazolo4,3-a1,4benzodiazepine-1-methanol, 8-chloro-6-(2-chlorophenyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesAcute Tox. 4 (100%);Acute Tox. 4 (100%);Acute Tox. 4 (100%);Repr. 2 (97.5%)

法規制情報

Regulatory Information · 1 件

4H-1,2,4Triazolo4,3-a1,4benzodiazepine-1-methanol, 8-chloro-6-(2-chlorophenyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

安全データ

wgk
3
ridadr
UN1230 - class 3 - PG 2 - Methanol, solution
risk_code
20/21/22-63-39/23/24/25-23/24/25-11
hazard_code
Xn,T,F
safety_code
22-36-45-36/37-16-7
Hazard Classifications
Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralRepr. 2

化学と産業

薬理情報

Metabolism/MetabolitesAlpha-Hydroxytriazolam is a known human metabolite of triazolam.
Tissue LocationsKidney;Liver
Cellular LocationsCytoplasm;Membrane

応用分野

使用A metabolite of Triazolam (T767380).

サプライヤー4 社

贵州迪大科技有限责任公司0851-8475-2296 18096062265 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]

関連反応

10 件

関連ノート

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