O-3-아미노-3-디옥시-알파-D-글루코피라노실-(1→6)-O-[2,6-디아미노-2,3,6-트리디옥시-알파-D-헥소피라노실-(1→4)]-2-디옥시-D-

O-3-아미노-3-디옥시-알파-D-글루코피라노실-(1→6)-O-[2,6-디아미노-2,3,6-트리디옥시-알파-D-헥소피라노실-(1→4)]-2-디옥시-D- · Tobramycin Base · Tobramycine · tobra · nebcin · tobrex · Tobramax · nf6

https://huagongshe.com/ko/chemical/36294

O-3-아미노-3-디옥시-알파-D-글루코피라노실-(1→6)-O-[2,6-디아미노-2,3,6-트리디옥시-알파-D-헥소피라노실-(1→4)]-2-디옥시-D- 분자 구조식

식별자 및 물리적 특성

CAS No.	32986-56-4
분자식	C18H37N5O9
평균 분자량	467.5 g/mol
단동위원소 질량	467.25912776 g/mol
SMILES	NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](N)C[C@@H]1O
InChIKey	NLVFBUXFDBBNBW-PBSUHMDJSA-N
PubChem CID	36294
ChEMBL	CHEMBL1747
ChEBI	CHEBI:28864
EC No.	251-322-5
DTXSID	DTXSID8023680
현지명	O-3-아미노-3-디옥시-알파-D-글루코피라노실-(1→6)-O-[2,6-디아미노-2,3,6-트리디옥시-알파-D-헥소피라노실-(1→4)]-2-디옥시-D-

화학 및 물리적 성질

XLogP	-6.2
극성 표면적	268
수소 결합 공여자 수	10
수소 결합 수용자 수	14
회전 가능 결합 수	6
무거운 원자 수	32
형식 전하	0
복잡도	609
의약품	Pharmaceuticals -> AntibioticsPharmaceuticals -> Listed in ZINC15
pH	Basic substance
LogP(분배 계수)	-5.8
Color/Form	White to off-white powderCrystals
용해도	freely solubleFreely soluble in water (1 in 1.5 parts)Very slightly soluble in ethanol (1 in 2000 parts). Practically insoluble in chloroform, ether5.37e+01 g/LH2O: 50 mg/mL, 투명, 희미한 노란색
Human Drugs	Breast FeedingLactationMilk, HumanAnti-Infective AgentsAntibacterial AgentsAminoglycosidesFDA approved drugs -> Active ingredientEMA approved medicines: Human medicineOphthalmological preparations > Anti-infective agents
Decomposition	Hazardous decomposition products formed under fire conditions - Carbon oxides, nitrogen oxides (NOx).When heated to decomposition it emits toxic fumes of /nitrogen oxides/.
Optical Rotation	Specific optical rotation: +129 deg at 20 °C/D (c = 1 in water)
Physical Description	Solid
Stability/Shelf Life	Stable under recommended storage conditions.... Hygroscopic powder.
Other Experimental Properties	Hygroscopic
녹는점	178 °C
끓는 점	570.01°C (rough estimate)
밀도	1.3458 (rough estimate)
굴절률	143 ° (C=4, H2O)
저장 조건	Keep in dark place,Inert atmosphere,2-8°C
pKa(산도 계수)	pKa 6.7 (Uncertain)8.3 (Uncertain)9.9 (Uncertain)
물리적 상태	흰색에서 회백색 고체
색상	흰색에서 황백색까지
용해도	물에 용해됨
Merck	14,9490
BRN	1357507
안정성	흡습성
주요 응용	제약소분자 약용
InChIKey	NLVFBUXFDBBNBW-TYINOFMDNA-N
SMILES	NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@@H](N)[C@H]3O)[C@H]2O)[C@H](N)C[C@@H]1O

화학적 성질

White or almost white powder.

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 6.7% (1 of 15) of reports.DangerH315 (46.7%): Causes skin irritation [Warning Skin corrosion/irritation]P203, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 15 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	Tobramycin: 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.
FDA 요건	The Approved Drug Products with Therapeutic Equivalence Evaluations identifies currently marketed prescription drug products, including tobramycin, approved on the basis of safety and effectiveness by FDA under sections 505 of the Federal Food, Drug, and Cosmetic Act.The Approved Drug Products with Therapeutic Equivalence Evaluations identifies currently marketed prescription drug products, including tobramycin sulfate, approved on the basis of safety and effectiveness by FDA under sections 505 of the Federal Food, Drug, and Cosmetic Act. /Tobramycin sulfate/
Special Reports	KAHLMETER GGENTAMICIN AND TOBRAMYCIN. CLINICAL PHARMACOKINETICS AND NEPHROTOXICITY. ASPECTS ON ASSAY TECHNIQUESSCAND J INFECT DIS (SUPPL) 18: 40PP (1979). REVIEW WITH 149 REFERENCES ON PHARMACOKINETICS & NEPHROTOXICITY OF GENTAMICIN & TOBRAMYCIN.
Hazard Classes and Categories	Skin Irrit. 2 (46.7%)Acute Tox. 3 (16.7%)
소화 절차	Suitable extinguishing media: Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.Advice for firefighters: Wear self-contained breathing apparatus for firefighting if necessary.
보관 조건	Keep container tightly closed in a dry and well-ventilated place. Recommended storage temperature 2 - 8 °C.
정리 방법	ACCIDENTAL RELEASE MEASURES: Personal precautions, protective equipment and emergency procedures: Avoid dust formation. Avoid breathing vapors, mist or gas. Environmental precautions: Do not let product enter drains. Methods and materials for containment and cleaning up: Sweep up and shovel. Keep in suitable, closed containers for disposal.

용도

개요

Tobramycin is one component (factor 6) of a mixture produced by fermentation of Streptomyces tenebrari us. Lacking the C-3′ hydroxyl group, it is not a substrate for APH(3′)-1 and APH(3′)-II and so has an intrinsically broader spectrum than kanamycin. It is a substrate, however, for adenylation at C-2′ by ANT (2′) and acetylation at C-3 by AAC(3)-I and AAC(3)-II and at C-2′ by AAC(2′).

용도

Tobramycin is an aminoglycoside antibiotic.