5-[(3-카르복시-4-클로로페닐)아조]살리실산
5-[(3-Carboxy-4-chlorophenyl)azo]salicylic acid
기본 정보
- CAS
93964-55-7- 표준 SMILES
O=C(O)c1cc(N=Nc2ccc(Cl)c(C(=O)O)c2)ccc1O- InChIKey
DGIVHDSCMQYEDB-UHFFFAOYSA-N- 분자식
- C14H9ClN2O5
- 평균 분자량
- 320.68 g/mol
- 단동위원소 질량
- 320.0199991
이름 및 식별자
- 우선 이름
- 5-[(3-Carboxy-4-chlorophenyl)azo]salicylic acid
- IUPAC
- 5-[(3-carboxy-4-chlorophenyl)diazenyl]-2-hydroxybenzoic acid
- 현지명
- 5-[(3-카르복시-4-클로로페닐)아조]살리실산
- 영어명
- 5-[(3-carboxy-4-chlorophenyl)azo]salicylic acid
- 분자식
- C14H9ClN2O5
- 분자량
- 320.68
이름 및 동의어
93964-55-74-Dehydroxy-4-chloro Olsalazine5-[(3-CARBOXY-4-CHLOROPHENYL)AZO]SALICYLIC ACID5-[(3-carboxy-4-chlorophenyl)diazenyl]-2-hydroxybenzoic acidOlsalazine sodium EP Impurity DEINECS 300-901-15-((3-Carboxy-4-chlorophenyl)azo)salicylic acid5-((3-Carboxy-4-chlorophenyl)diazenyl)-2-hydroxybenzoic acid(E)-5-((3-carboxy-4-chlorophenyl)diazenyl)-2-hydroxybenzoic acidOlsalazine Sodium Impurity DBenzoic acid, 5-[(3-carboxy-4-chlorophenyl)azo]-2-hydroxy- (9CI); 6-Chloro-6'-hydroxy-3,3'-diazenediyldibenzoic acid; 5-[(3-Carboxy-4-chlorophenyl)azo]salicylic acid; 4-Dehydroxy-4-chloro Olsalazine; 4-Dehydroxy-4-chlorolsalazine; Olsalazine Sodium Imp. D (EP)DGIVHDSCMQYEDB-UHFFFAOYSA-N
이름 더 보기
5-[(3-카르복시-4-클로로페닐)아조]살리실산Olsalazine EP Impurity D4-Chloro-4'-hydroxyazobenzene-3,3'-dicarboxylic acid5-[(3-Carboxy-4-chlorophenyl)azo]-2-hydroxybenzoic acidOlsalazine Sodium Impurity 4（Olsalazine Sodium EP Impurity D）Benzoic acid, 5-[(3-carboxy-4-chlorophenyl)azo]-2-hydroxy- (9CI)
DTXSID901191912IO63797NS000639575- [(3- Carboxy- 4- chlorophenyl) a zo] salicylic acid5-(3-carboxy-4-chloro-phenyl)azo-2-hydroxy-benzoic acidBenzoic acid, 5-[(3-carboxy-4-chlorophenyl)azo]-2-hydroxy-5- [(3- Carboxy- 4- chlorophenyl) azo] - 2- hydroxy-benzoic acid
데이터베이스 식별자
- CAS
93964-55-7- PubChem CID
- 3023114
- DTXSID
DTXSID901191912- EC Number
- 300-901-1
- Nikkaji
- J30.058F
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 120 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 459
물리화학적 성질
- 끓는 점
- 628.9 · 628.9±55.0 °C(Predicted)
- 밀도
- 1.55 · 1.55±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- 용해도
- DMSO (약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 2.49 · 2.49±0.25(Predicted)
- 색상
- 갈색에서 진한 갈색까지
화학 및 산업
응용 분야
용도4-Dehydroxy-4-chloro Olsalazine is an impurity of Olsalazine sodium salt (O586000). Olsalazine Sodium Salt is a dimer of Mesalazine (M258100), an anti-inflammatory drug used in the treatment of inflammatory bowel disease and ulcerative colitis.
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…