기본 정보
- CAS
53597-27-6- 표준 SMILES
O=C(O)c1cc(-n2c(-c3ccccc3)cc3c2CCc2ccccc2-3)ccc1O- InChIKey
HAWWPSYXSLJRBO-UHFFFAOYSA-N- 분자식
- C25H19NO3
- 평균 분자량
- 381.4 g/mol
- 단동위원소 질량
- 381.13649347
개요
Fendosal is a benzoindole that is 4,5-dihydro-3H-benzo[e]indole in which the nitrogen is substituted by a 3-carboxy-4-hydroxyphenyl group. A non-narcotic analgesic and non-steroidal anti-inflammatory drug, it has greater analgesic and inflammatory responses than aspirin but with less gastrointestinal toxicity. It has a role as a non-steroidal anti-inflammatory drug and a non-narcotic analgesic. It is a monohydroxybenzoic acid, a member of pyrroles and a benzoindole.
이름 및 식별자
- 우선 이름
- Fendosal
- IUPAC
- 2-hydroxy-5-(2-phenyl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid
- 현지명
- 펜도살
- 영어명
- Fendosal
- 분자식
- C25H19NO3
- 분자량
- 381.42
이름 및 동의어
Fendosal53597-27-6Alnovin5-(4,5-Dihydro-2-phenyl-3H-benz[e]indol-3-yl)salicylic acidFendosalumP 71-0129NSC-351522BENZOIC ACID, 5-(4,5-DIHYDRO-2-PHENYL-3H-BENZ(e)INDOL-3-YL)-2-HYDROXY-9Z709558TZ3-(3-Carboxy-4-hydroxyphenyl)-2-phenyl-4,5-dihydro-3H-benz(e)indole5-(4,5-Dihydro-2-phenyl-3H-benz(e)indol-3-yl)-2-hydroxybenzoic acid5-(4,5-Dihydro-2-phenyl-3H-benz(e)indol-3-yl)salicylic acid
이름 더 보기
펜도살hp129CS-86Fendosal, 10 mM in DMSO2-hydroxy-5-{2-phenyl-3H,4H,5H-benzo[e]indol-3-yl}benzoic acid3-(3-carboxy-4-hydroxyphenyl)-4,5-dihydro-2-phenylbenz[e]indole
CHEBI:135595DTXSID80201811P-71-0129RefChem:921527DTXCID10124302fendozalHP 1292-hydroxy-5-(2-phenyl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid
데이터베이스 식별자
- CAS
물성
구조 계산 물성
- XLogP
- 5.7
- 극성 표면적
- 62.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 589
물리화학적 성질
- 녹는점
- 223 · 223-225° (dec)
- 끓는 점
- 508.82 °C · 508.82°C (rough estimate)
- 밀도
- 1.2182 · 1.2182 (rough estimate)
- 굴절률
- 1.6 · 1.6000 (estimate)
- 산도 계수 (pKa)
- 2.4 · 2.40±0.10(Predicted)
안전 및 규제
안전 데이터
- 독성
- LD50 in mice, rats, rabbits (mg/kg): 740, 450, 560 orally; in mice (mg/kg): 510 i.p. (Lassman)
화학 및 산업
응용 분야
용도Anti-inflammatory.
상·하류 제품 정보
상류 원료
공급사27 곳
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