CAS 1395346-28-7 2-Hydroxybenzoic Acid 2-[1-(4-Carboxyphenyl)-5-(2-hydroxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl Ester (HCID 136228195)

기본 정보

CAS: 1395346-28-7
표준 SMILES: O=C(O)c1ccc(-n2nc(-c3ccccc3OC(=O)c3ccccc3O)nc2-c2ccccc2O)cc1
InChIKey: AMIJCIIYZDKOKA-UHFFFAOYSA-N
분자식: C28H19N3O6
평균 분자량: 493.5 g/mol
단동위원소 질량: 493.12738533

이름 및 식별자

우선 이름: 2-Hydroxybenzoic Acid 2-[1-(4-Carboxyphenyl)-5-(2-hydroxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl Ester
IUPAC: 4-[3-[2-(2-hydroxybenzoyl)oxyphenyl]-5-(2-hydroxyphenyl)-1,2,4-triazol-1-yl]benzoic acid
영어명: Deferasirox Salicyloyl Ester
분자식: C28H19N3O6
분자량: 493.47

이름 및 동의어

1395346-28-72-Hydroxybenzoic Acid 2-[1-(4-Carboxyphenyl)-5-(2-hydroxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl Ester2-Hydroxybenzoic Acid 2-(1-(4-Carboxyphenyl)-5-(2-hydroxyphenyl)-1H-1,2,4-triazol-3-yl)phenyl EsterRefChem:473404844-302-8Deferasirox Salicyloyl Ester4-[3-[2-(2-Hydroxybenzoyl)oxyphenyl]-5-(2-hydroxyphenyl)-1,2,4-triazol-1-yl]benzoic acid4-(3-(2-((2-hydroxybenzoyl)oxy)phenyl)-5-(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl)benzoic acidDeferasirox Impurity 6Deferasirox Impurity 6Deferasirox Salicyloyl Ester; Benzoic acid, 2-hydroxy-, 2-[1-(4-carboxyphenyl)-5-(2-hydroxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl ester; Deferasirox Salicylyl Derivative; 4-[3-[2-(2-Hydroxybenzoyl)oxyphenyl]-5-(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl]benzoic AcidDeferasirox Impurity 15

이름 더 보기

Benzoic acid, 2-hydroxy-, 2-[1-(4-carboxyphenyl)-5-(2-hydroxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl ester

물성

구조 계산 물성

XLogP: 5.8
극성 표면적: 135 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 8
회전 가능 결합 수: 7
무거운 원자 수: 37
형식 전하: 0
복잡도: 790

물리화학적 성질

끓는 점: 785.9 · 785.9±70.0 °C(Predicted)
밀도: 1.39 · 1.39±0.1 g/cm3(Predicted)
산도 계수 (pKa): 3.54 · 3.54±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 3건

H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAquatic Chronic 3 (100%)

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H412

화학 및 산업

응용 분야

용도Deferasirox Saalicyloyl Ester is an impurity of Deferasirox (D228650), orally active tridentate iron chelator.

공급사26 곳

济南百隆化学有限公司[email protected] · [email protected]

武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]

怀化元研达生物技术有限责任公司18711085600 · [email protected]

广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]

深圳市简一生物科技有限公司0755-84826604 · [email protected]

화합물 노트

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2-Hydroxybenzoic Acid 2-[1-(4-Carboxyphenyl)-5-(2-hydroxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl Ester