CAS 82664-20-8 Flurithromycin (HCID 71260)

기본 정보

CAS: 82664-20-8
표준 SMILES: CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@](C)(F)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O
InChIKey: XOEUHCONYHZURQ-HNUBZJOYSA-N
분자식: C37H66FNO13
평균 분자량: 751.9 g/mol
단동위원소 질량: 751.45181932

이름 및 식별자

우선 이름: Flurithromycin
IUPAC: (3R,4S,5S,6R,7R,9S,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-9-fluoro-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
영어명: FLURITHROMYCIN
분자식: C37H66FNO13
분자량: 751.92

이름 및 동의어

Flurithromycin82664-20-88-FluoroerythromycinFluritromicina(8S)-8-Fluoroerythromycin AFlurithromycineAntibiotic P 80206(8S)-8-FluoroerythromycinCl-932FlurithromycinumP-0501AP 80206

이름 더 보기

p80206C1-932P-0501-Aantibioticp80206Huritromicina(sp)8-fluoro-erythromyci

56C9DTE69VCHEBI:131719DTXSID40905085(3R,4S,5S,6R,7R,9S,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-9-fluoro-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dioneflurythromycinflurythromycin Aantibiotic P-80206(3R,4S,5S,6R,7R,9S,11R,12R,13S,14R)-6-((2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl)oxy-14-ethyl-9-fluoro-7,12,13-trihydroxy-4-((2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione

데이터베이스 식별자

CAS: 82664-20-8
PubChem CID: 71260

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 194 Å²
수소 결합 공여자 수: 5
수소 결합 수용자 수: 15
회전 가능 결합 수: 7
무거운 원자 수: 52
형식 전하: 0
복잡도: 1,230

물리화학적 성질

녹는점: 139 °C · >139°C (dec.)
끓는 점: 814.6 · 814.6±65.0 °C(Predicted)
밀도: 1.22 · 1.22±0.1 g/cm3(Predicted)
저장 조건: -20 °C · -20°C Freezer, Under inert atmosphere
용해도: 클로로포름(약간 용해됨), DMSO(약간 용해됨), 에탄올(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 12.94 · 12.94±0.70(Predicted)
색상: 흰색에서 황백색까지

안전 및 규제

안전 데이터

risk_code: 10
hazard_code: F
safety_code: 16

화학 및 산업

약리 정보

ATC Code · 2건

J - Antiinfectives for systemic use；J01 - Antibacterials for systemic use；J01F - Macrolides, lincosamides and streptogramins；J01FA - Macrolides；J01FA14 - Flurithromycin

QJ - Antiinfectives for systemic use；QJ01 - Antibacterials for systemic use；QJ01F - Macrolides, lincosamides and streptogramins；QJ01FA - Macrolides；QJ01FA14 - Flurithromycin

MeSH Pharmacological ClassificationCompounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.