기본 정보
- CAS
117693-41-1- 표준 SMILES
CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[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)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O- InChIKey
PXDYILJJHOVNLO-NZMWSZMZSA-N- 분자식
- C30H58N2O9
- 평균 분자량
- 590.8 g/mol
- 단동위원소 질량
- 590.41423143
이름 및 식별자
- 우선 이름
- Desosaminylazithromycin
- IUPAC
- (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10,13-tetrahydroxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one
- 현지명
- 데소사미닐아지트로마이신
- 영어명
- DesosaMinylazithroMycin
- 분자식
- C30H58N2O9
- 분자량
- 590.79
이름 및 동의어
Desosaminylazithromycin117693-41-1Descladinose Azithromycin13-o-DecladinosylazithromycinCP 66458E4730HW9T7CP-664581-Oxa-6-azacyclopentadecan-15-one, 2-ethyl-3,4,10,13-tetrahydroxy-3,5,6,8,10,12,14-heptamethyl-11-((3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl)oxy)-, (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-1-Oxa-6-azacyclopentadecan-15-one, 2-ethyl-3,4,10,13-tetrahydroxy-3,5,6,8,10,12,14-heptamethyl-11-((3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl)oxy)-, (2R-(2R*,3S*,4R*,5R*,8R*,10R*,11R*,12S*,13S*,14R*))-1-Oxa-6-azacyclopentadecan-15-one, 2-ethyl-3,4,10,13-tetrahydroxy-3,5,6,8,10,12,14-heptamethyl-11-[[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy]-, (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-1-Oxa-6-azacyclopentadecan-15-one, 2-ethyl-3,4,10,13-tetrahydroxy-3,5,6,8,10,12,14-heptamethyl-11-[[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy]-, [2R-(2R*,3S*,4R*,5R*,8R*,10R*,11R*,12S*,13S*,14R*)]-RefChem:1083198
이름 더 보기
데소사미닐아지트로마이신Azithromycin-5DesosaMinylazithroMycAzithromycin mpurity JAzithromycin Impurity J(BP)USP DesosaminylazithromycinDesosaminylazithromycin (USP)Azithromycin EP Impurity J(USP)
Azithromycin Impurity Jdescladinosyl azithromycinDecladinosylazithromycin(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10,13-tetrahydroxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-oneC30H58N2O9Azithromycin impurity J [EP]UNII-E4730HW9T7orb2893525
데이터베이스 식별자
- CAS
117693-41-1- PubChem CID
- 9851445
- ChEMBL
CHEMBL1645595- UNII
- E4730HW9T7
물성
구조 계산 물성
- XLogP
- 3.4
- 극성 표면적
- 152 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 41
- 형식 전하
- 0
- 복잡도
- 849
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Metabolite of Azithromycin
물리화학적 성질
- 녹는점
- 137 · 137-140 °C
- 끓는 점
- 727.3 · 727.3±60.0 °C(Predicted)
- 밀도
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 산도 계수 (pKa)
- 13.29 · 13.29±0.70(Predicted)
화학적 성질
Pale Green Solid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- HS 번호
- 2934990002
화학 및 산업
응용 분야
용도Descladinose Azithromycin is a metabolite of the semi-synthetic macrolide antibiotic Azithromycin (A927000).
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