スペクチノマイシン二塩酸塩

Spectinomycin Dihydrochloride

HCID 64740CAS 21736-83-4

基本情報

標準SMILES: CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@@]3(O)C(=O)C[C@@H](C)O[C@H]3O[C@@H]2[C@H]1O.Cl.Cl
InChIKey: FOGDPGQSHLLYIK-XYQGXRRISA-N
分子式: C14H26Cl2N2O7
平均分子量: 405.3 g/mol
単同位体質量: 404.11170653

概要

Spectinomycin dihydrochloride is a hydrochloride obtained by combining spectinomycin with two molar equivalents of hydrochloric acid. An antibiotic that is active against gram-negative bacteria and used (as its pentahydrate) to treat gonorrhea. It has a role as an antimicrobial agent and an antibacterial drug. It contains a spectinomycin(2+).

名称と識別子

優先名称: Spectinomycin Dihydrochloride
IUPAC: (1R,3S,5R,8R,10R,11S,12S,13R,14S)-8,12,14-trihydroxy-5-methyl-11,13-bis(methylamino)-2,4,9-trioxatricyclo[8.4.0.03,8]tetradecan-7-one;dihydrochloride
現地名: スペクチノマイシン二塩酸塩
英語名: Spectinomycin dihydrochloride
分子式: C14H24N2O7.2ClH
分子量: 405.27

名称と別名

Spectinomycin dihydrochloride21736-83-4Spectinomycin hydrochloride anhydrousDTXSID9045429CHEBI:9216DTXCID7025429296JEI210ZNSC-248616RefChem:1098908244-554-3(1R,3S,5R,8R,10R,11S,12S,13R,14S)-8,12,14-trihydroxy-5-methyl-11,13-bis(methylamino)-2,4,9-trioxatricyclo[8.4.0.03,8]tetradecan-7-one;dihydrochloride(2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)decahydro-4H-benzo[b]pyrano[2,3-e][1,4]dioxin-4-one dihydrochloride

名称をさらに表示

スペクチノマイシン塩酸塩塩酸スペクチノマイシン(2R)-2,3,4a,5aβ,6,7,8,9,9aα,10aβ-デカヒドロ-4aβ,7β,9α-トリヒドロキシ-2α-メチル-6β,8β-ビス(メチルアミノ)-4H-ピラノ[2,3-b][1,4]ベンゾジオキシン-4-オン·2塩酸塩スペクチノマイシン二塩酸塩五水和物標準品スペクチノマイシン二塩酸塩(2R)-2,3,4a,5aβ,6,7,8,9,9aα,10aβ-デカヒドロ-4aβ,7β,9α-トリヒドロキシ-2α-メチル-6β,8β-ビス(メチルアミノ)-4H-ピラノ[2,3-b][1,4]ベンゾジオキシン-4-オン・2塩酸塩SPECTINOMYCIN HYDROCHLORIDEGentamicin hydrochlorideM 141staniloU-18409AENSC 248616SpectacomycinSPECTINOMYCIN 2HCLSPECTINOMYCIN DIHYDROCSpectinomycin (50mg/ml)

4H-Pyrano[2,3-b][1,4]benzodioxin-4-one,decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-,dihydrochloride, (2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-Spectinomycin diHClSpectinomycin (hydrochloride hydrate)C14H26CL2N2O7SR-05000001868Prestwick_106Spectinomycin (dihydrochloride pentahydrate)NCGC00016754-01

データベース識別子

CAS: 21736-83-4
PubChem CID: 64740
DTXSID: DTXSID9045429
ChEMBL: CHEMBL3184600
ChEBI: CHEBI:9216
UNII: 296JEI210Z
EC Number: 244-554-3

物性

構造計算による物性

極性表面積: 130 Å²
水素結合供与体数: 7
水素結合受容体数: 9
回転可能結合数: 2
重原子数: 25
形式電荷: 0
複雑度: 478

実験および物理化学的性質

Collision Cross Section174.3 Å² [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

物理化学的性質

融点: 194 °C · 194°C
貯蔵温度: 2 · Inert atmosphere,2-8°C
溶解性: 2 O: · H2O: 50 mg/mL、透明、微黄色
外見: 粉
色: ホワイトからオフホワイト
InChIKey: BIPVCOUVVAMJMZ-CEDDKZKHNA-N
SMILES: N([C@H]1[C@H]([C@@H](NC)[C@H](O)[C@@]2([H])O[C@]3([H])O[C@H](C)CC(=O)[C@]3(O)O[C@]12[H])O)C.Cl |&1:1,2,3,6,8,11,14,19,22,r|

化学的性質

化学的特性SPECTINOMYCIN DIHYDROCHLORIDE is White Powder

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 1.7% (1 of 59) of reports.

Danger

H317 (94.9%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P233, P260, P261, P271, P272, P280, P284, P302+P352, P304+P340, P321, P333+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 59 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Other Safety Information · 1 件

IMAP assessments - 4H-Pyrano[2,3-b][1,4]benzodioxin-4-one, decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-, dihydrochloride, [2R-(2.alpha.,4a.beta.,5a.beta.,6.beta.,7.beta.,8.beta.,9.alpha.,9a.alpha.,10a.beta.)]-: Environment tier I assessment

Hazard Classes and CategoriesSkin Sens. 1 (94.9%)

安全データ

F: 10
wgk: 2
rtecs: WG7400000
毒性: monkey,LD50,oral,500mg/kg (500mg/kg),Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 7, Pg. 100, 1965.
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野

使用SPECTINOMYCIN DIHYDROCHLORIDE is an antibiotic used in the treatment and control of infectious bacterial enteritis in animals. Used in drug testing against nonreplicating mycobacterium tuberculosis.

調製方法 · 1 件

純化方法The salt is purified by recrystallisation from aqueous Me2CO and is soluble in H2O, MeOH and dilute acid and base, but only slightly soluble in Me2CO, EtOH, CHCl3 and *C6H6. The free base is an amorphous solid, m 184-194o with []D -20o (H2O). [Wiley et al. J Am Chem Soc 93 2652 1963, X-ray: Cochran et al. J Chem Soc Chem Commun 494 1972.] It is an aminoglycoside antibiotic which interacts with 16S ribosomal RNA [Moazet & Noller Nature 327 389 1987] and is used for the treatment of gonorrhea [Rinehart J Infect Dis 119 345 1969].

上流・下流製品情報

上流原料

Carbamic acid, [4-(acetyloxy)decahydro-4a,7,9-trihydroxy-2-methyl-2H-pyrano[2,3-b][1,4]benzodioxin-6,8-diyl]bis[methyl-, bis(phenylmethyl) ester, [2R-(2α,4β,4aβ,5aβ,6α,7α,8α,9β,9aβ,10aβ)]- (9CI)

サプライヤー50 社

北京华美互利生物化工010-56205725 · [email protected]

湖北金梭生物科技有限公司00123456789 · [email protected]

Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]

補足説明 · 1 件

定義SPECTINOMYCIN DIHYDROCHLORIDE is a hydrochloride obtained by combining spectinomycin with two molar equivalents of hydrochloric acid. An antibiotic that is active against gram-negative bacteria and used (as its pentahydrate) to treat gonorrhea.