기본 정보
- CAS
22189-32-8- 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.O.O.O.O.O- InChIKey
DCHJOVNPPSBWHK-UXXUFHFZSA-N- 분자식
- C14H36Cl2N2O12
- 평균 분자량
- 495.3 g/mol
- 단동위원소 질량
- 494.16452995
개요
Spectinomycin hydrochloride hydrate is a hydrate that is the pentahydrate form of spectinomycin hydrochloride. An antibiotic that is active against gram-negative bacteria and used to treat gonorrhea. It has a role as an antimicrobial agent and an antibacterial drug. It is a hydrate and a hydrochloride. It contains a spectinomycin(2+).
이름 및 식별자
- 우선 이름
- Spectinomycin Hydrochloride
- 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;pentahydrate;dihydrochloride
- 영어명
- Spectinomycin dihydrochloride pentahydrate
- 분자식
- C14H27ClN2O8
- 분자량
- 386.83
이름 및 동의어
Spectinomycin hydrochlorideSpectinomycin HClSpectinomycin hydrochloride hydrateEspectinomicina dihydrochloride pentahydrateSpectogardU-18,409AEActinospectacin dihydrochloride pentahydrateSpectinomycin hcl pentahydrateHWT06H303ZSPECTINOMYCIN HYDROCHLORIDE PENTAHYDRATEU-18409AENSC-757319
이름 더 보기
SPECTINOMYCIN PENTAHYDRATE DIHYDROCHLORIDEM 141D00869Trobicin (tn)SPECTINOMYCIN 2HCLSpectinomycin,≥98%
Spectinomycini hydrochloridumCHEBI:9217Spectam TabletsPROSPEC InjectableNSC248616RefChem:57027Spectinomycin Oral Liquidmagnesium;2-hydroxybenzoate
데이터베이스 식별자
- CAS
22189-32-8- PubChem CID
- 30971
- DTXSID
DTXSID90944843- ChEMBL
물성
구조 계산 물성
- 극성 표면적
- 135 Ų
- 수소 결합 공여자 수
- 12
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 478
실험 및 물리화학적 성질
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Animal Drugs
Active Ingredients (Spectinomycin Hydrochloride Pentahydrate) -> FDA Greenbook
Active Ingredients (Spectinomycin dihydrochloride pentahydrate) -> FDA Greenbook
물리화학적 성질
- 녹는점
- 205 · 205-207° (dec)
- 저장 조건
- 2 · 2-8°C
- 용해도
- 2 O: · H2O: 50 mg/mL, 투명, 희미한 노란색
- 물리적 상태
- 가루
- 색상
- 흰색에서 황백색까지
- 생물학적 소스
- synthetic (inorganic)
- 수용성
- 물에 용해됩니다. 물, 메탄올, 디메틸 설폭사이드, 에탄올 및 디메틸 포름아미드에 용해됩니다.
- Merck
- 14 · 14,8739
- BRN
- 5684150 · 5684150
- 주요 응용
- 임상 시험
- InChIKey
- DCHJOVNPPSBWHK-UXXUFHFZSA-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.O |&1:1,2,3,6,8,11,14,19,22,r|
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 5.6% (3 of 54) of reports.
Warning
H315 (90.7%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 54 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationSpectinomycin dihydrochloride pentahydrate: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesSkin Irrit. 2 (90.7%)
독성 정보
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Spectinomycin hydrochloride
Ambiguous-DILI-concern
3
Adverse reactions
DOI:10.1016/j.drudis.2016.02.015
안전 데이터
- wgk
- 2
- rtecs
- WG7400000
- 독성
- mouse,LD50,intramuscular,> 5gm/kg (5000mg/kg),BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY),Japanese Journal of Antibiotics. Vol. 29, Pg. 43, 1976.
- HS 번호
- 29419090
- safety_code
- 24/25
화학 및 산업
약리 정보
MeSH Pharmacological ClassificationSubstances that inhibit the growth or reproduction of BACTERIA.
용도 및 제조
Use Classification
Animal Drugs -> FDA Approved Animal Drug Products (Green Book) -> Active Ingredients
Animal Drugs -> FDA Approved Animal Drug Products (Green Book) -> Active Ingredients
Veterinary Drug -> ANTIMICROBIAL_AGENT -> JECFA Functional Classes
응용 분야
개요Spectinomycin was found in the culture broth of Streptomyces spectabilis by Upjohn Co. in 1961. This antibiotic was intended for use in treating various infections, as are the other aminoglycoside antibiotics, but its activity is insufficient for clinical efficacy except against gonorrhea. Spectinomycin does not develop crossresistance with any other antibiotic and shows low toxicity; it is used by deep intramuscular injection for “single-session,” bolusinjection therapy of gonorrhea.
용도Spectinomycin Dihydrochloride Pentahydrate is a new animal drug application (ANADA) administered in the drinking water of chickens as an aid in the control of airsacculitis; Also, it is an aminocylcitol antibiotic.
일반 설명A broad spectrum aminoglycoside antibiotic that contains two glucose moieties. Footprint studies indicate that spectinomycin exerts regional effects on ribosomal structure. A resistance gene (aph) which encodes a spectinomycin has been cloned from Legionella pneumophila (disease agent for Legionnaire’s disease) kinase and expressed in E. coli. Potency: ≥500 μg/mg.
공급사100 곳
国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工
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