기본 정보
- CAS
14206-58-7- 표준 SMILES
CN(C)[C@H]1C(=O)C(C(N)=O)=C(O)[C@@]2(O)C(=O)C3=C(O)c4c(O)cccc4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]12- InChIKey
IWVCMVBTMGNXQD-DVJPNYBFSA-N- 분자식
- C22H24N2O9
- 평균 분자량
- 460.4 g/mol
- 단동위원소 질량
- 460.14818035
개요
See also: 4-epi-Oxytetracycline (annotation moved to).
이름 및 식별자
- 우선 이름
- 4-Epioxytetracycline
- IUPAC
- (4R,4aR,5S,5aR,6S,12aR)-4-(dimethylamino)-1,5,6,10,11,12a-hexahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide
- 영어명
- 4-Epioxytetracycline
- 분자식
- C22H24N2O9
- 분자량
- 460.43
이름 및 동의어
14206-58-74-epi-OxytetracyclineEpioxytetracycline4-EpioxytetracyclineOxytetracycline EP Impurity A(4R,4aR,5S,5aR,6S,12aS)-4-(Dimethylamino)-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, (4R,4aR,5S,5aR,6S,12aS)-73VON8SRY5(4R,4aR,5S,5aR,6S,12aR)-4-(dimethylamino)-1,5,6,10,11,12a-hexahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide4-epi-Oxytetracycline 100 |Ig/mL in Acetonitrile/WaterUNII-73VON8SRY5C22H24N2O9
이름 더 보기
Oxytetracycline IMpurity AOxytetracycline Impurity 1[4R-(4α,4aβ,5β,5aβ,6α,12aβ]-4-Epi-Oxytetracycline, EvoPureC13179000 4-epi-Oxytetracycline4-Epioxytetracycline (Standard)4-Epioxytetracycline 100 μg/ml MethanolOxytetracycline Hydrochloride EP Impurity A
(4R,4aR,5S,5aR,6S,12aS)-4-(Dimethylamino)-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide (4-Epioxytetracycline)Hydroxyquatrimycin; 4-epi-Oxytetracycline; [4R-(4alpha,4abeta,5beta,5abeta,6alpha,12abeta)]-4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide; Oxytetracycline Hydrochloride Impurity A; Oxytetracycline Impurity AOxytetracycline dihydrate specified impurity A [EP]orb3026000Oxytetracycline hydrochloride specified impurity A [EP]SCHEMBL30419854DTXSID20873793MSK4115
물성
구조 계산 물성
- XLogP
- -1.6
- 극성 표면적
- 202 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 1,000
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Antibiotics
물리화학적 성질
- 녹는점
- 168 °C · 168°C
- 끓는 점
- 839.6 · 839.6±65.0 °C(Predicted)
- 밀도
- 1.71 · 1.71±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · Hygroscopic, -20°C Freezer, Under Inert Atmosphere
- 용해도
- DMSO: slightly soluble; Methanol: slightly, heated
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 4.5 · 4.50±1.00(Predicted)
- 색상
- 녹색빛이 도는 베이지색에서 갈색을 띤다
- 안정성
- Hygroscopic, Light Sensitive, Unstable in Solution
- EPA
- 2 · 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, (4R,4aR,5S,5aR,6S,12aS)- (14206-58-7)
화학적 성질
greenish-beige to brownish powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- HS 번호
- 29413020
화학 및 산업
응용 분야
개요Epioxytetracycline is a metabolite of Oxytetracycline. It has been found in swine manure compost and wastewater and is considered a pollutant. This highly pure metabolite can be used as a secondary reference standard during stability studies of oxytetracycline. It can also be used to study the degradation pathway and products of tetracyclines.
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