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맥시트롤

Dexamethasone; Neomycin Sulfate; Polymyxin B Sulfate

HCID 56841899
노트반응
기본 정보개요이름 및 식별자물성관련 반응화합물 노트
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기본 정보

CAS
78666-15-6
표준 SMILES
CCC(C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCN)NC1=O)C(C)O.C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO.NC[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3N)O[C@@H]2CO)[C@H](N)[C@@H](O)[C@@H]1O.O=S(=O)(O)O.O=S(=O)(O)O
InChIKey
AYPVKEUFFRLHGM-UPXXUEPXSA-N
분자식
C101H177FN22O39S2
평균 분자량
2,406.7 g/mol
단동위원소 질량
2,405.1968744

개요

Neomycin Sulfate/Polymyxin B Sulfate/Dexamethasone is a topical combination preparation containing the sulfate salt form of the aminoglycoside antibiotic neomycin, the sulfate salt form of the polypeptide antibiotic polymyxin B, and the glucocorticoid dexamethasone, with antimicrobial, anti-infective and anti-inflammatory activities. Upon topical application, neomycin irreversibly binds to the bacterial 30S ribosomal subunit, thereby preventing mRNA from binding, causing both misreading and the inhibition of protein synthesis. Polymyxin B binds, with its positively charged amino groups, to negatively charged phospholipids in the outer cell membrane of Gram-negative bacteria, thereby disrupting cell wall integrity and altering the permeability of the bacterial cytoplasmic membrane. Dexamethasone binds to the cytoplasmic glucocorticoid receptor, and this receptor-ligand complex is translocated to the nucleus where it initiates the transcription of genes encoding for anti-inflammatory mediators, such as cytokines and lipocortins.

이름 및 식별자

우선 이름
Dexamethasone; Neomycin Sulfate; Polymyxin B Sulfate
IUPAC
(2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol;N-[(2S)-4-amino-1-[[(2S)-1-[[(2S)-4-amino-1-oxo-1-[[(3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-15-benzyl-3-[(1R)-1-hydroxyethyl]-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-6-methyloctanamide;(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one;sulfuric acid
현지명
맥시트롤
영어명
maxitrol
분자식
C101H177FN22O39S2
분자량
2406.7384832

이름 및 동의어

DexacidinDEXASPORINNEO-POLY-DEXRefChem:57695Neomycin, Polymyxin B Sulfates, DexamethasoneNeomycin Polymyxin B Sulfates and DexamethasoneNEOMYCIN, POLYMYXIN B AND DEXAMETHASONEDexamethasone/Neomycin Sulfate/Polymyxin B SulfateDexamethasone/Polymyxin B Sulfate/Neomycin SulfateDexamethasone;Neomycin Sulfate;Polymyxin B SulfateDexamethasone;Polymyxin B Sulfate;Neomycin SulfateNeomycin Sulfate/Polymyxin B Sulfate/Dexamethasone
이름 더 보기
맥시트롤maxitrol(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-oneN-[(2S)-4-amino-1-[[(2S)-1-[[(2S)-4-amino-1-oxo-1-[[(3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-15-benzyl-3-[(1R)-1-hydroxyethyl]-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-6-methyloctanamide
Dexamethasone; Neomycin Sulfate; Polymyxin B SulfateDexamethasone / Neomycin Sulfate / Polymyxin B SulfateDexamethasone / Polymyxin B Sulfate / Neomycin SulfateNeomycin sulfate, Polymyxin B Sulfate and DexamethasoneNeomycin sulfate, Polymyxin B Sulfate, and DexamethasoneNEOMYCIN SULFATE;POLYMYXIN B SULFATE;DEXAMETHASONEPOLYMYXIN B SULFATE/DEXAMETHASONE/NEOMYCIN SULFATEPOLYMYXIN B SULFATE/NEOMYCIN SULFATE/DEXAMETHASONE

데이터베이스 식별자

CAS
78666-15-6
PubChem CID
56841899
DTXSID
DTXSID50229229

물성

구조 계산 물성

극성 표면적
1,100 Ų
수소 결합 공여자 수
38
수소 결합 수용자 수
51
회전 가능 결합 수
40
무거운 원자 수
165
형식 전하
0
복잡도
3,910

실험 및 물리화학적 성질

Human DrugsFDA approved drugs -> Active ingredient

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