トリメトプリム乳酸塩

Trimethoprim lactate

HCID 3084396CAS 23256-42-0

部分構造検索類似構造を探す

基本情報

標準SMILES: CC(O)C(=O)O.COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC
InChIKey: IIZVTUWSIKTFKO-UHFFFAOYSA-N
分子式: C17H24N4O6
平均分子量: 380.4 g/mol

名称と識別子

優先名称: Trimethoprim lactate
IUPAC: 2-hydroxypropanoic acid;5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
現地名: トリメトプリム乳酸塩
英語名: Trimethoprim lactate salt
分子式: C17H24N4O6
分子量: 380.4

名称と別名

23256-42-0TRIMETHOPRIM LACTATELACTOTRIMUNII-P3K8GP9FDQP3K8GP9FDQEINECS 245-533-1TRIMETHOPRIM LACTATE [WHO-DD]2,4-PYRIMIDINEDIAMINE, 5-((3,4,5-TRIMETHOXYPHENYL)METHYL)-, MONO(2-HYDROXYPROPANOATE)RefChem:191738245-533-1Trimethoprim lactate saltTrimethoprim lactic Acid

名称をさらに表示

トリメトプリム乳酸塩トリメトプリム乳酸塩乳酸トリメトプリム5-[(3,4,5-トリメトキシフェニル)メチル]-2,4-ピリミジンジアミン・2-ヒドロキシプロパン酸Lactic triMethopriMLactic acid trimethoprim5-(3,4,5-Trimethoxybenzyl)Trimethylolpropane lactateTrimethoprim lactate, >=99%Trimethoprim lactate salt USP/EP/BPTrimethoprim lactate salt /Lactate TMP

5-(3,4,5-Trimethoxybenzyl)pyrimidine-2,4-diamine 2-hydroxypropanoateTrimethoprim (lactate)MLS000069832Wellcoprim (TN)2-oxidanylpropanoic acidOpera_ID_7052-hydroxypropanoic acid;5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamineMFCD00171722

データベース識別子

CAS: 23256-42-0
PubChem CID: 3084396
DTXSID: DTXSID00945947
ChEMBL: CHEMBL1430611
UNII: P3K8GP9FDQ
EC Number: 245-533-1

物性

構造計算による物性

極性表面積: 163 Å²
水素結合供与体数: 4
水素結合受容体数: 10
回転可能結合数: 6
重原子数: 27
形式電荷: 0
複雑度: 366

実験および物理化学的性質

Solubility>57.1 [ug/mL] (The mean of the results at pH 7.4)

物理化学的性質

融点: 170 · 170 - 172°C
貯蔵温度: 2 · Keep in dark place,Inert atmosphere,2-8°C
溶解性: 2 O: · H2O: ソリュブル20mg/mL
外見: 粉
色: 白い
水溶解度: 水に溶ける
InChI: InChI=1S/C14H18N4O3.C3H6O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15;1-2(4)3(5)6/h5-7H,4H2,1-3H3,(H4,15,16,17,18);2,4H,1H3,(H,5,6)
InChIKey: IIZVTUWSIKTFKO-UHFFFAOYSA-N
SMILES: C(O)(C)C(=O)O.C(C1=CN=C(N)N=C1N)C1C=C(OC)C(OC)=C(OC)C=1
CAS データベース: 23256 · 23256-42-0(CAS DataBase Reference)

化学的性質

化学的特性Crystalline

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 40% (2 of 5) of reports.

Danger

H301 (40%): Toxic if swallowed [Danger Acute toxicity, oral]

P203, P261, P262, P264, P270, P271, P272, P280, P301+P316, P301+P317, P302+P352, P304+P340, P316, P317, P318, P321, P330, P333+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationTrimethoprim lactate: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 3 (40%)

安全データ

wgk: 3
ridadr: UN 2811
risk_code: 23/24/25-43-61
hazard_code: T
safety_code: 22-36/37/39-45-53
hazard_class: 6.1(b)
packing_group: III
Hazard Classifications: Acute Tox. 3 OralRepr. 2
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

化学と産業

応用分野

使用Trimethoprim lactate salt is an antibacterial agent.

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