기본 정보
- CAS
136450-06-1- 표준 SMILES
CC(=O)c1cccc(NC(=O)c2ccc(OCCCCc3ccccc3)cc2)c1O- InChIKey
NTUBQTVFDLDHRH-UHFFFAOYSA-N- 분자식
- C25H25NO4
- 평균 분자량
- 403.5 g/mol
- 단동위원소 질량
- 403.17835828
이름 및 식별자
- 우선 이름
- N-(3-Acetyl-2-hydroxyphenyl)-4-(4-phenylbutoxy)benzamide
- IUPAC
- N-(3-acetyl-2-hydroxyphenyl)-4-(4-phenylbutoxy)benzamide
- 영어명
- 3''-Acetyl-2''-hydroxy-4-(4-phenylbutoxy)benzanilide
- 분자식
- C25H25NO4
- 분자량
- 403.47
이름 및 동의어
N-(3-acetyl-2-hydroxyphenyl)-4-(4-phenylbutoxy)benzamide66NXWRAG2BUNII-66NXWRAG2B3-(4-(4-PHENYLBUTOXY)BENZOYL)AMINO-2-HYDROXYACETOPHENONEDTXSID50275660EC 416-150-93-[4-(4-Phenylbutoxy)benzoylamino]-2-hydroxyacetophenone3-(4-(4-PHENYLBUTOXY)BENZOYLAMINO)-2-HYDROXYACETOPHENONERefChem:161910DTXCID60227079416-150-9136450-06-1
이름 더 보기
3''-Acetyl-2''-hydroxy-4-(4-phenylbutoxy)benzanilide3''-Acetyl-2''-hydroxy-4-(4-phenylbutoxy)benzanilideN-(3-Acyl-2-hydroxyphenyl)-4-(4-phenylbutoxy)benzamide3’-[4-(-Phenylbutoxy)benzoylamino]-2’-hydroxyacetophenone3’-[4-(4-Phenylbutoxy)benzoylamino]-2’-hydroxyacetophenone3-[4-(4-phenyl-1-butoxy)benzoyl]amino-2-hydroxyacetophenoneBenzamide, N-(3-acetyl-2-hydroxyphenyl)-4-(4-phenylbutoxy)-3'-[4-(4-Phenylbutoxy)benzoylamino]-2'-hydroxyacetophenone (Pranlukast)
MFCD098353073'-[4-(4-Phenylbutoxy)benzoylamino]-2'-hydroxyacetophenoneSCHEMBL3415084NTUBQTVFDLDHRH-UHFFFAOYSA-NN-(3-acetyl-2-hydroxy-phenyl)-4-(4-phenylbutoxy)benzamideAKOS016005413DS-3902AC-24751
물성
구조 계산 물성
- XLogP
- 5.3
- 극성 표면적
- 75.6 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 537
실험 및 물리화학적 성질
Endocrine DisruptorsPotential endocrine disrupting compound
물리화학적 성질
- 끓는 점
- 528 · 528.0±50.0 °C(Predicted)
- 밀도
- 1.213 · 1.213±0.06 g/cm3(Predicted)
- 저장 조건
- Sealed in dry,Room Temperature
- 산도 계수 (pKa)
- 9.5 · 9.50±0.40(Predicted)
- InChI
- InChI=1S/C25H25NO4/c1-18(27)22-11-7-12-23(24(22)28)26-25(29)20-13-15-21(16-14-20)30-17-6-5-10-19-8-3-2-4-9-19/h2-4,7-9,11-16,28H,5-6,10,17H2,1H3,(H,26,29)
- InChIKey
- NTUBQTVFDLDHRH-UHFFFAOYSA-N
- SMILES
- C(NC1=CC=CC(C(C)=O)=C1O)(=O)C1=CC=C(OCCCCC2=CC=CC=C2)C=C1
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
H413: May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
H413: May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
유해성 정보
Regulatory InformationREACH registered substance: N-(3-acetyl-2-hydroxyphenyl)-4-(4-phenylbutoxy)benzamide (EC: 416-150-9)
Hazard Classes and Categories
Hazardous to the aquatic environment (chronic) - category 4
Aquatic Chronic 4
안전 데이터
- risk_code
- 53
- safety_code
- 61
화학 및 산업
상·하류 제품 정보
상류 원료
공급사77 곳
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合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]
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HubeiwidelychemicaltechnologyCo.,Ltd18627774460 · [email protected]
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