기본 정보
- CAS
10318-16-8- 표준 SMILES
CC(=O)OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc([N+](=O)[O-])cc1- InChIKey
VVOIFRARHIZCJD-GHMZBOCLSA-N- 분자식
- C13H14Cl2N2O6
- 평균 분자량
- 365.16 g/mol
- 단동위원소 질량
- 364.0228916
개요
Chloramphenicol 3-acetate is an acetate ester. It is functionally related to a chloramphenicol.
이름 및 식별자
- 우선 이름
- N-((1R,2R)-1-((Acetyloxy)methyl)-2-hydroxy-2-(4-nitrophenyl)ethyl)-2,2-dichloroacetamide
- IUPAC
- [(2R,3R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl] acetate
- 현지명
- 클로람페니콜3-아세테이트
- 영어명
- chloramphenicol 3-acetate
- 분자식
- C13H14Cl2N2O6
- 분자량
- 365.17
이름 및 동의어
Chloramphenicol 3-acetate10318-16-83-Acetylchloramphenicol3'-O-acetylchloramphenicol(2R,3R)-2-[(dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl acetate[(2R,3R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl] acetateCHEBI:16730N-[(1R,2R)-1-[(Acetyloxy)methyl]-2-hydroxy-2-(4-nitrophenyl)ethyl]-2,2-dichloroacetamide((2R,3R)-2-((2,2-dichloroacetyl)amino)-3-hydroxy-3-(4-nitrophenyl)propyl) acetate(2R,3R)-2-((dichloroacetyl)amino)-3-hydroxy-3-(4-nitrophenyl)propyl acetateN-((1R,2R)-1-((Acetyloxy)methyl)-2-hydroxy-2-(4-nitrophenyl)ethyl)-2,2-dichloroacetamideRefChem:926523
이름 더 보기
클로람페니콜3-아세테이트Chloramphenicol Impurity 93-O-AcetylchloraMphenicol, ChloraMphenicol 3-acetateAcetamide, N-[(1R,2R)-1-[(acetyloxy)methyl]-2-hydroxy-2-(4-nitrophenyl)ethyl]-2,2-dichloro-
chloramphenicol acetateC13H14Cl2N2O63-Acetoxychloramphenicol; 3-Acetylchloramphenicol; 3-O-Monoacetylchloramphenicol; [R-(R*,R*)]-N-[1-[(acetyloxy)methyl]-2-hydroxy-2-(4-nitrophenyl)ethyl]-2,2-dichloroacetamide; D-threo-(-)-2,2-Dichloro-N-[beta-hydroxy-alpha-(hydroxymethyl)-p-nitrophenethyl]acetamide alpha-Acetate;orb2299212SCHEMBL4744337CHEMBL4177469DTXSID30908222MFCD28898459
물성
구조 계산 물성
- XLogP
- 1.7
- 극성 표면적
- 121 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 435
물리화학적 성질
- 녹는점
- 89 · 89-91oC
- 끓는 점
- 589 · 589.0±50.0 °C(Predicted)
- 밀도
- 1.473 · 1.473±0.06 g/cm3(Predicted)
- 저장 조건
- -20 °C · -20°C Freezer
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 산도 계수 (pKa)
- 10.85 · 10.85±0.46(Predicted)
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
화학 및 산업
응용 분야
개요Chloramphenicol acetate is an acetylated and inactive version of chloramphenicol. It is formed in E. coli and S. aureus by the inducible enzyme chloramphenicol acetyltransferase in the presence of acetyl coenzyme A (acetyl-CoA; ) to confer chloramphenicol resistance. Chloramphenicol acetate has no antibiotic activity against S. sonnei in a turbidimetric assay.
용도Chloramphenicol 3-Acetate is an Chloramphenicol (C325030) derivative found in metabolic decomposition of Chloramphenicol by Alcaligenes faecalis.
공급사16 곳
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