스펙티노마이신 디수화염화물

Spectinomycin Dihydrochloride

HCID 64740CAS 21736-83-4

기본 정보

표준 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
분자식: C14H26Cl2N2O7
평균 분자량: 405.3 g/mol
단동위원소 질량: 404.11170653

개요

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+).

이름 및 식별자

우선 이름: 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
현지명: 스펙티노마이신 디수화염화물
영어명: Spectinomycin dihydrochloride
분자식: C14H24N2O7.2ClH
분자량: 405.27

이름 및 동의어

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

이름 더 보기

스펙티노마이신디수화염화물스펙티노마이신디수화염화물(SPECTINOMYCINDIHYDROCHLORIDE)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

데이터베이스 식별자

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

물성

구조 계산 물성

극성 표면적: 130 Å²
수소 결합 공여자 수: 7
수소 결합 수용자 수: 9
회전 가능 결합 수: 2
무거운 원자 수: 25
형식 전하: 0
복잡도: 478

실험 및 물리화학적 성질

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

물리화학적 성질

녹는점: 194 °C · 194°C
저장 조건: 2 · Inert atmosphere,2-8°C
용해도: 2 O: · H2O: 50 mg/mL, 투명, 희미한 노란색
물리적 상태: 가루
색상: 흰색에서 황백색까지
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|

화학적 성질

SPECTINOMYCIN DIHYDROCHLORIDE is White Powder

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

Other Safety Information · 1건

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%)

안전 데이터

wgk: 2
rtecs: WG7400000
독성: monkey,LD50,oral,500mg/kg (500mg/kg),Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 7, Pg. 100, 1965.
기존화학 물질: KE-09391
F 고인화성물질: 10
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

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

상·하류 제품 정보

상류 원료

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)

공급사50 곳

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]

추가 설명 · 1건

정의SPECTINOMYCIN 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.

연결된 노트

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