기본 정보
- CAS
111321-02-9- 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(=N\O)[C@H](C)[C@@H](O)[C@]1(C)O- InChIKey
KYTWXIARANQMCA-ZWCWUSBLNA-N- 분자식
- C37H68N2O13
- 평균 분자량
- 748.9 g/mol
- 단동위원소 질량
- 748.47214023
개요
See also: Erythromycin A Oxime (annotation moved to) ... View More ...
이름 및 식별자
- 우선 이름
- (3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-6-((2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl)oxy-14-ethyl-7,12,13-trihydroxy-10-hydroxyimino-4-((2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one
- IUPAC
- (3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-10-hydroxyimino-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one
- 현지명
- 에리스로마이신A옥심
- 영어명
- Erythromycin A Oxime
- 분자식
- C37H68N2O13
- 분자량
- 748.94
이름 및 동의어
111321-02-9(3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-10-hydroxyimino-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one(3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-6-((2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl)oxy-14-ethyl-7,12,13-trihydroxy-10-hydroxyimino-4-((2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-oneRefChem:401092978-456-39(E)-Erythromycin A oximeErythromycin, 9-oximeMFCD08062410(3R,4S,5S,6R,7R,9R,11S,12R,13S,14R)-6-(((2S,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-14-ethyl-7,12,13-trihydroxy-4-(((2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-10-(hydroxyimino)-3,5,7,9,11,13-hexamethyloxacyclotetradecan-2-one
물성
구조 계산 물성
- XLogP
- 3
- 극성 표면적
- 209 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 15
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 52
- 형식 전하
- 0
- 복잡도
- 1,210
물리화학적 성질
- 녹는점
- 156 · 156-166 °C
- 끓는 점
- 841 · 841.0±65.0 °C(Predicted)
- 밀도
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- 저장 조건
- Refrigerator
- 용해도
- 클로로포름(약간 용해됨), DMSO(약간 용해됨), 에탄올(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 11.96 · 11.96±0.70(Predicted)
- 색상
- 흰색에서 황백색까지
- InChIKey
- KYTWXIARANQMCA-ZWCWUSBLNA-N
화학적 성질
Off-White Solid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesAquatic Chronic 2 (100%)
안전 데이터
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H401
화학 및 산업
응용 분야
개요(9E)-Erythromycin A oxime is a metabolite of the semisynthetic antibiotic roxithromycin .
용도(9E)-Erythromycin A Oxime is a metabolite of Roxithromycin (R700850) in humans. It has anti-Helicobacter pylori activity
상·하류 제품 정보
하류 제품
공급사97 곳
济南百隆化学有限公司[email protected] · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
南京望知星医药科技有限公司18569809817 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
관련 반응
1건
화합물 노트
불러오는 중…