Clarithromycin 9-Oxime

HCID 9962216CAS 103450-87-9

기본 정보

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)(OC)C[C@@H](C)/C(=N\O)[C@H](C)[C@@H](O)[C@]1(C)O
InChIKey: MWBJRTBANFUBOX-SQYJNGITSA-N
분자식: C38H70N2O13
평균 분자량: 763 g/mol
단동위원소 질량: 762.48779029

이름 및 식별자

우선 이름: Clarithromycin 9-Oxime
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-12,13-dihydroxy-10-hydroxyimino-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one
영어명: Clarithromycin (9Z)-Oxime
분자식: C38H70N2O13
분자량: 762.98

이름 및 동의어

Clarithromycin 9-Oxime103450-87-9Clarithromycin (9Z)-OximeClarithromycin E-9-OximeClarithromycin 9-Oxime (E/Z mixture)127253-06-9(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-12,13-dihydroxy-10-hydroxyimino-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one127253-05-8Clarithromycin EP impurity C6-O-Methylerythromycin A (E)-9-oxime; Oxacyclotetradecane, erythromycin deriv.; 9(E)-6-O-Methyl-erythromycin oximeErythromycin, 6-O-methyl-, 9-oxime, (9Z)-WWW97Q57W2

이름 더 보기

CLARITHROMYCIN Z-OXIME6-O-methyl Ery A 9(Z)-oximeClarithromycin EP Impurity LClarithromycin Impurity L(EP)Clarithromycin EP Impurity L (USP RC L)Clarithromycin related compound L, EvoPureClarithromycin Impurity 12(Clarithromycin EP Impurity L)

CHEMBL4277273SCHEMBL25926088DTXSID20433331(3R,4S,5S,6R,7R,9R,11S,12R,13S,14R,E)-6-(((2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-14-ethyl-12,13-dihydroxy-4-(((2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-10-(hydroxyimino)-7-methoxy-3,5,7,9,11,13-hexamethyloxacyclotetradecan-2-one(3R,4S,5S,6R,7R,9R,11S,12R,13S,14R,Z)-6-(((2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-14-ethyl-12,13-dihydroxy-4-(((2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-10-(hydroxyimino)-7-methoxy-6-O-Methylerythromycin A (Z)-9-oximeG91064(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-12,13-dihydroxy-10-(hydroxyimino)-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy}-7-methoxy-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecan-2-one

데이터베이스 식별자

CAS: 103450-87-9、127253-05-8
PubChem CID: 9962216
DTXSID: DTXSID20433331
ChEMBL: CHEMBL4277273
UNII: WWW97Q57W2

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 198 Å²
수소 결합 공여자 수: 5
수소 결합 수용자 수: 15
회전 가능 결합 수: 8
무거운 원자 수: 53
형식 전하: 0
복잡도: 1,230

물리화학적 성질

녹는점: 212 · 212-215oC
끓는 점: 827.7 · 827.7±65.0 °C(Predicted)
밀도: 1.26 · 1.26±0.1 g/cm3(Predicted)
저장 조건: -20 °C · -20°C Freezer, Under inert atmosphere
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 11.94 · 11.94±0.70(Predicted)
물리적 상태: 고체
색상: 흰색에서 황백색까지
주요 응용: 소분자 약용
InChIKey: MWBJRTBANFUBOX-YFKXTQMRNA-N

안전 및 규제

안전 데이터

wgk: WGK 3
Hazard Classifications: Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도Clarithromycin (9Z)-Oxime (Clarithromycin EP Impurity L) is an impurity of Clarithromycin (C559750); a semi-synthetic macrolide antibiotic and derivative of Erythromycin (E650000).

공급사23 곳

梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]

广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]

广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]

佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]

深圳市星跃生物科技有限公司18124513697; 18124513697 · [email protected]

연결된 노트

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