CAS 1688656-83-8 Deferasirox Impurity E (HCID 178748844)

기본 정보

CAS: 1688656-83-8
표준 SMILES: O=C(O)c1ccc(-n2nc(-c3cc(Sc4ccc(O)c(-c5nc(-c6ccccc6O)n(-c6ccc(C(=O)O)cc6)n5)c4)ccc3O)nc2-c2ccccc2O)cc1
InChIKey: NWETZLTWYSYMFW-UHFFFAOYSA-N
분자식: C42H28N6O8S
평균 분자량: 776.8 g/mol

이름 및 식별자

우선 이름: Deferasirox Impurity E
IUPAC: 4-[3-[5-[3-[1-(4-carboxyphenyl)-5-(2-hydroxyphenyl)-1,2,4-triazol-3-yl]-4-hydroxyphenyl]sulfanyl-2-hydroxyphenyl]-5-(2-hydroxyphenyl)-1,2,4-triazol-1-yl]benzoic acid
영어명: Deferasirox iMpurity
분자식: C42H28N6O8S
분자량: 776.78

이름 및 동의어

Deferasirox Impurity E1688656-83-84,4'-((Thiobis(6-hydroxy-3,1-phenylene))bis(5-(2-hydroxyphenyl)-1H-1,2,4-triazole-3,1-diyl))dibenzoic acidDeferasirox Impurity E; Bis[3-[1-(4-Carboxyphenyl)-5-(2-hydroxyphenyl)-1H-1,2,4-triazol-3-yl]-4-hydroxyphenyl] Sulfide; 4-[3-[5-[3-[1-(4-Carboxyphenyl)-5-(2-hydroxyphenyl)-1,2,4-triazol-3-yl]-4-hydroxy-phenyl]sulfanyl-2-hydroxy-phenyl]-5-(2-hydroxyphenyl)-1,2,4-triazol-1-yl]benzDeferasirox iMpurityDeferasirox Impurity 51Deferasirox Impurity 18

데이터베이스 식별자

CAS: 1688656-83-8

물성

구조 계산 물성

XLogP: 7.8
극성 표면적: 242 Å²
수소 결합 공여자 수: 6
수소 결합 수용자 수: 13
회전 가능 결합 수: 10
무거운 원자 수: 57
형식 전하: 0
복잡도: 1,260

물리화학적 성질

끓는 점: 1131.2 · 1131.2±75.0 °C(Predicted)
밀도: 1.51 · 1.51±0.1 g/cm3(Predicted)
산도 계수 (pKa): 3.23 · 3.23±0.10(Predicted)

화학 및 산업

응용 분야

용도Deferasirox Impurity E is an impurity of Deferasirox (D228650) which is an orally active tridentate iron chelator.

공급사12 곳

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

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

孟成科技（上海）有限公司400-820-6829 · [email protected]

深圳菲斯生物科技有限公司0755-83725681-603

山东博洛达生物科技有限公司0531-68659041 · [email protected]

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