CAS 1986-47-6 Tranylcypromine hydrochloride (HCID 2723716)

基本情報

CAS: 1986-47-6
標準SMILES: Cl.N[C@@H]1C[C@H]1c1ccccc1
InChIKey: ZPEFMSTTZXJOTM-OULXEKPRSA-N
分子式: C9H12ClN
平均分子量: 169.65 g/mol
単同位体質量: 169.0658271

名称と識別子

優先名称: Tranylcypromine hydrochloride
IUPAC: trans-(1R,2S)-2-phenylcyclopropan-1-amine;hydrochloride
現地名: (1R,2S)-2-フェニルシクロプロパンアミン塩酸塩
英語名: (1R,2S)-2-Phenyl-cyclopropylamine hydrochloride
分子式: C9H12ClN
分子量: 169.65

名称と別名

Tranylcypromine hydrochloride1986-47-637388-05-9trans-2-Phenylcyclopropylamine hydrochloridetrans-2-Phenylcyclopropanamine hydrochlorideTranylcypromine HCl(1R,2S)-2-phenylcyclopropan-1-amine hydrochlorideDTXSID6047781DTXCID6027761Cyclopropanamine, 2-phenyl-, hydrochloride (1:1), (1R,2S)-rel-rac-(1R,2S)-2-phenylcyclopropan-1-amine hydrochlorideRel-Tranylcypromine HCl

名称をさらに表示

(1R,2S)-2-フェニルシクロプロパンアミン塩酸塩(-)-Tranylcypromine HClS(-) Enantiomer of Tranylcypromine(1R,2S)-Tranylcypromine Hydrochloride(+)-Tranylcypromine and (-)-Tranylcypromine(1R,2S)-2-Phenyl-cyclopropylamine hydrochloride(-)-Tranylcypromine HCl ((-)-trans-2-Phenylcyclopropylamine HCl)(-)-Tranylcypromine HydrochlorideQ: What is (-)-Tranylcypromine Hydrochloride Q: What is the CAS Number of (-)-Tranylcypromine Hydrochloride Q: What is the storage condition of (-)-Tranylcypromine Hydrochloride

RefChem:8989282-Phenyl-Cyclopropylamine HClDL-tranylcypromine hydrochloriderac-tranylcypromine hydrochlorideCHEBI:131513(+-)-trans-2-phenylcyclopropylamine hydrochloriderac-(1R,2S)-2-phenylcyclopropan-1-aminium chloride(1R*,2S*)-2-phenylcyclopropan-1-amine hydrochloride

データベース識別子

CAS: 1986-47-6、37388-05-9
PubChem CID: 2723716
DTXSID: DTXSID6047781
ChEMBL: CHEMBL1255743
ChEBI: CHEBI:131514
EC Number: 803-051-4、851-285-0

物性

構造計算による物性

極性表面積: 26 Å²
水素結合供与体数: 2
水素結合受容体数: 1
回転可能結合数: 1
重原子数: 11
形式電荷: 0
複雑度: 116

実験および物理化学的性質

Solubility>25.4 [ug/mL] (The mean of the results at pH 7.4)

物理化学的性質

InChI: InChI=1/C9H11N.ClH/c10-9-6-8(9)7-4-2-1-3-5-7;/h1-5,8-9H,6,10H2;1H/t8-,9+;/s3
InChIKey: ZPEFMSTTZXJOTM-HLRUTPIHNA-N
SMILES: N[C@@H]1C[C@H]1C1C=CC=CC=1.Cl |&1:1,3,r|

安全と法規制

GHS分類

GHS Classification · 6 件

Warning

H302 (92.9%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (95.2%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (95.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.2%): 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, 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 42 reports by companies from 4 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 Categories · 2 件

Acute Tox. 4 (92.9%)；Skin Irrit. 2 (95.2%)；Eye Irrit. 2 (95.2%)；STOT SE 3 (95.2%)

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

安全データ

注意喚起語: 警告
危険有害性情報: コード危険有害性情報危険有害性クラス区分注意喚起語シンボル P コード H302

化学と産業

応用分野 · 1 件

使用(1R,2S)-Tranylcypromine Hydrochloride, is used in the preparation of piperidine derivatives, which serve as LSD1 inhibitors for the treatment of cancer. (1R,2S)-Tranylcypromine-d5 Hydrochloride has also been shown to inhibit gastric emptying in rats.