Erythromycin B

HCID 9918244
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기본 정보

CAS
527-75-3
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@@H](C)C(=O)[C@H](C)[C@@H](O)[C@H]1C
InChIKey
IDRYSCOQVVUBIJ-PPGFLMPOSA-N
분자식
C37H67NO12
평균 분자량
717.9 g/mol
단동위원소 질량
717.46632657

이름 및 식별자

우선 이름
Erythromycin B
IUPAC
(3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12-dihydroxy-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
ERYTHROMYCIN B
분자식
C37H67NO12
분자량
717.93

이름 및 동의어

Erythromycin B527-75-3BerythromycinBeritromicinaBerythromycine12-DeoxyerythromycinBerythromycinumAbbott-24091AN686JJ1YICHEBI:28196DTXSID501023765(3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12-dihydroxy-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
이름 더 보기
abbot24091Erythromycin B RSErythromycin B CRS12-deoxy-erythromyciErythromycin B - APIIsoniazid Impurity 15Erythromycin B (100 mg)
(3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-6-((2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl)oxy-14-ethyl-7,12-dihydroxy-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-dione12-deoxyerythromycin ARefChem:567063DTXCID601508085ERYTHROMYCIN B (150 MG)Erythromycin B (~90%)(3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-6-(((2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-14-ethyl-7,12-dihydroxy-4-(((2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dioneAbbot 24091

데이터베이스 식별자

CAS
527-75-3
PubChem CID
9918244
DTXSID
DTXSID501023765
ChEMBL
CHEMBL3220708
ChEBI
CHEBI:28196
UNII
AN686JJ1YI
EC Number
809-313-4

물성

구조 계산 물성

XLogP
3.9
극성 표면적
174 Ų
수소 결합 공여자 수
4
수소 결합 수용자 수
13
회전 가능 결합 수
7
무거운 원자 수
50

물리화학적 성질

녹는점
191 · 191-195 °C
끓는 점
807.6 · 807.6±65.0 °C(Predicted)
밀도
1.17 · 1.17±0.1 g/cm3(Predicted)
용해도
Chloroform (Slightly), Ethanol (Slightly), Ethyl Acetate (Slightly, Heated)
산도 계수 (pKa)
13.49 · 13.49±0.70(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesEye Irrit. 2 (100%)

안전 데이터

HS 번호
2941500000
risk_code
36
hazard_code
Xi
safety_code
26

화학 및 산업

약리 정보

MeSH Pharmacological ClassificationSubstances that inhibit the growth or reproduction of BACTERIA.
응용 분야 · 1건

용도Erythromycin B (12-deoxyerythromycin A) is a minor co-metabolite of erythromycin produced Saccharopolyspora erythreae. Erythromycin B exhibits broad spectrum antibiotic activity, albeit less potent than erythromycin A. Erythromycin B played an integral part of the SAR studies of semi-synthetic erythromycins, however none reached clinical development.

공급사47 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
苏州聚臻医药科技有限公司15365159808 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]

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