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Vancomycin, N3''-(2-(decylamino)ethyl)-29-(((phosphonomethyl)amino)methyl)-, hydrochloride (1:1)

HCID 9812715
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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
560130-42-9
표준 SMILES
CCCCCCCCCCNCCN[C@@]1(C)C[C@H](O[C@H]2[C@H](Oc3c4cc5cc3Oc3ccc(cc3Cl)[C@@H](O)[C@@H](NC(=O)[C@@H](CC(C)C)NC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]5C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c5cc(O)c(CNCP(=O)(O)O)c(O)c5-c5cc3ccc5O)[C@H](O)c3ccc(c(Cl)c3)O4)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@@H](C)[C@H]1O.Cl
InChIKey
GSSIWSIRBWAZHG-ACOPVEIWSA-N
분자식
C80H107Cl3N11O27P
평균 분자량
1,792.1 g/mol
단동위원소 질량
1,789.614107

개요

Telavancin hydrochloride is a hydrochloride obtained by combining telavancin and hydrochloric acid. The composition of the compound is telavancin.nHCl where n = 1-3. Used for treatment of adults with complicated skin and skin structure infections caused by bacteria. It has a role as an antimicrobial agent and an antibacterial drug. It contains a telavancin.

이름 및 식별자

우선 이름
Vancomycin, N3''-(2-(decylamino)ethyl)-29-(((phosphonomethyl)amino)methyl)-, hydrochloride (1:1)
IUPAC
(1S,2R,18R,19R,22S,25R,28R,40S)-22-(2-amino-2-oxoethyl)-5,15-dichloro-48-[(2S,3R,4S,5S,6R)-3-[(2S,4S,5S,6S)-4-[2-(decylamino)ethylamino]-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,18,32,35,37-pentahydroxy-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-36-[(phosphonomethylamino)methyl]-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid;hydrochloride
영어명
Telavancin hydrochloride
분자식
C80H107Cl3N11O27P
분자량
1792.095841

이름 및 동의어

Telavancin Hydrochloride560130-42-9Telavancin HClTelevancin hydrochlorideTD-64240701472ZG0CHEBI:71226VANCOMYCIN, N(SUP 3'')-(2-(DECYLAMINO)ETHYL)-29-(((PHOSPHONOMETHYL)AMINO)METHYL)-, MONOHYDROCHLORIDEVancomycin, N3''-(2-(decylamino)ethyl)-29-(((phosphonomethyl)amino)methyl)-, hydrochloride (1:1)RefChem:56920VibativTd 6424
이름 더 보기
PubChem ID: 9812715TelavancinHydrochloridTerafencin hydrochlorideTeravanacin hydrochlorideTeravastatin Hydrochloride
Vibativ (TN)Telavancin hydrochloride [USAN]Telavancin (hydrochloride)Telavancin hydrochloride (USAN)C80H107Cl3N11O27P380636-75-9N3''-[2-(Decylamino)ethyl]-29-[[(phosphonomethyl)amino]methyl]vancomycin hydrochlorideTLV

물성

구조 계산 물성

극성 표면적
598 Ų
수소 결합 공여자 수
24
수소 결합 수용자 수
31
회전 가능 결합 수
30
무거운 원자 수
122
형식 전하
0
복잡도
3,490

실험 및 물리화학적 성질

Human Drugs · 3건

Breast Feeding; Lactation; Milk, Human; Anti-Infective Agents; Antibacterial Agents; Glycopeptides; Lipoglycopeptides

FDA approved drugs -> Active ingredient

FDA approved drugs -> Active ingredient

물리화학적 성질

물리적 상태
Solid
색상
White to off-white
InChIKey
GSSIWSIRBWAZHG-ACOPVEIWSA-N

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

독성 정보

Effects During Pregnancy and Lactation◉ Summary of Use during Lactation

화학 및 산업

약리 정보

FDA Pharmacological Classification · 2건

TELAVANCIN HYDROCHLORIDE

Lipoglycopeptide Antibacterial [EPC]; Lipoglycopeptides [EXT]

MeSH Pharmacological ClassificationSubstances that inhibit the growth or reproduction of BACTERIA.

응용 분야

용도Antibacterial agent active against gram-positive pathogens.

추가 설명 · 1건

정의ChEBI: A hydrochloride obtained by combining telavancin and hydrochloric acid. The composition of the compound is telavancin.nHCl where n = 1-3. Used for treatment of adults with complicated skin and skin structure infections caused by bacteria.

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데이터베이스 식별자

CAS
560130-42-9
PubChem CID
9812715
ChEMBL
CHEMBL3301680
ChEBI
CHEBI:71226
UNII
0701472ZG0