CAS 88046-01-9 (2-Carbamimidamido-1,3-thiazol-4-yl)methyl carbamimidothioate dihydrochloride (HCID 178478807)

名称と識別子

優先名称: (2-Carbamimidamido-1,3-thiazol-4-yl)methyl carbamimidothioate dihydrochloride
IUPAC: [2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methyl carbamimidothioate;dihydrochloride
英語名: (S)-((2-Guanidino-4-thiazolyl)methylisothiourea dihydrochloride
分子式: C6H11ClN6S2
分子量: 266.77

名称と別名

88046-01-9(2-carbamimidamido-1,3-thiazol-4-yl)methyl carbamimidothioate dihydrochlorideEC 618-106-6RefChem:205878618-106-6MFCD01075760(S)-((2-Guanidino-4-thiazolyl)methylisothiourea dihydrochlorides-[(2-guanidino-4-thiazolyl)methyl]isothiourea dihydrochloride(2-Guanidinothiazol-4-yl)methyl carbamimidothioate dihydrochlorideS-(2-Guanidino-4-thiazolyl)methylisothiourea Dihydrochloride[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methyl carbamimidothioate;dihydrochlorideFamotidine EP Impurity H

名称をさらに表示

N-[4-[[(amino iminomethyl) thio]-methyl]-2-thiazolyl]-guanidine dihydrochloride (FMT-II)Famotidine Impurity 13Iso Thiourea Hcl. (ITU)Famotidine EP Impurity H HCLFamotidine Related Compound hFamotidine Isothiourea Impurity[2-[(Diaminomethylidene)amino]thiazFamotidine double salt intermediate

Carbamimidothioic Acid [2-[(Aminoiminomethyl)amino]-4-thiazolyl]methyl Ester DihydrochlorideFamotidine Impurity H DiHCl(2-((Diaminomethylidene)amino)thiazol-4-yl)methyl carbamimidothioate dihydrochloride[2-[(Diaminomethylidene)amino]thiazol-4-yl]methyl Carbamimidothioate DihydrochlorideC6H12Cl2N6S23PZ8U72L9WS-[(2-Guanidino-4-thiazolyl)methyl]isothiourea 2HClFamotidine EP Impurity H DiHCl

データベース識別子

CAS: 88046-01-9
PubChem CID: 11289662

物性

構造計算による物性

極性表面積: 181 Å²
水素結合供与体数: 6
水素結合受容体数: 5
回転可能結合数: 4
重原子数: 16
形式電荷: 0
複雑度: 238

物理化学的性質

融点: 188 oC · >188oC (dec.)
貯蔵温度: Refrigerator
溶解性: DMSO（少量）、メタノール（少量）
外見: 個体
色: ホワイトからオフホワイト
PH: 3.89 at · 3.89 at 1000g/L
InChI: InChI=1S/C6H10N6S2.ClH/c7-4(8)12-6-11-3(2-14-6)1-13-5(9)10;/h2H,1H2,(H3,9,10)(H4,7,8,11,12);1H
InChIKey: DMXJVYCDETXZRR-UHFFFAOYSA-N
SMILES: N(C1SC=C(CSC(N)=N)N=1)C(N)=N.Cl
LogP: 1 at · 1 at 30℃ and pH3.89

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (14.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (85.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (14.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (14.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H402 (85.7%): Harmful to aquatic life [Hazardous to the aquatic environment, acute hazard]；H412 (85.7%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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 7 reports by companies from 3 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 InformationStatus: Active Update: 26-01-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/1318；Status: Active Update: 07-05-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/22673

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (14.3%)；Skin Sens. 1B (85.7%)；Eye Irrit. 2 (14.3%)；Acute Tox. 4 (100%)；STOT SE 3 (14.3%)；Aquatic Acute 3 (85.7%)；Aquatic Chronic 3 (85.7%)

法規制情報

Regulatory InformationStatus: Active Update: 26-01-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/1318；Status: Active Update: 07-05-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/22673

安全データ

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

使用Famotidine intermediate.

上流・下流製品情報

上流原料

グアニルチオ尿素 1,3-ジクロロ-2-プロパノン

下流製品

3-(((2-Guanidino-4-thiazolyl)methyl)thio)propanimidc acid methyl ester

サプライヤー102 社

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]

補足説明 · 1 件

定義Famotidine EP Impurity H is chemically (S)-((2-Guanidino-4-thiazolyl)methylisothiourea dihydrochloride. It is also known as Famotidine Isothiourea Impurity . Famotidine EP Impurity H can be used for the analytical method development, method validation (AMV), Quality Controlled (QC) application for Abbreviated New Drug Application (ANDA) or during commercial production of Famotidine.

化合物ノート

読み込み中…

(2-Carbamimidamido-1,3-thiazol-4-yl)methyl carbamimidothioate dihydrochloride

基本情報