CAS 871700-24-2 3-Cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido(2,3-d)pyrimidine-2,4,7(1H,3H,8H)-trione (HCID 59717004)

기본 정보

CAS: 871700-24-2
표준 SMILES: Cc1c(O)c2c(=O)n(C3CC3)c(=O)n(-c3ccc(I)cc3F)c2n(C)c1=O
InChIKey: MHHFXMZMCYWCJQ-UHFFFAOYSA-N
분자식: C18H15FIN3O4
평균 분자량: 483.2 g/mol
단동위원소 질량: 483.00913

이름 및 식별자

우선 이름: 3-Cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido(2,3-d)pyrimidine-2,4,7(1H,3H,8H)-trione
IUPAC: 3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione
영어명: 3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-diMethylpyrido[2,3-d]pyriMidine-2,4,7(1H,3H,8H)-trione
분자식: C18H15FIN3O4
분자량: 483.23

이름 및 동의어

871700-24-23-cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7(1H,3H,8H)-trione5S6EHX4QH63-Cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido(2,3-d)pyrimidine-2,4,7(1H,3H,8H)-trioneRefChem:1067676MFCD18207185C18H15FIN3O43-cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trionePyrido[2,3-d]pyrimidine-2,4,7(1H,3H,8H)-trione, 3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethyl-Pyrido[2,3-d]pyrimidine-2,4,7(1H,3H,8H)-trione, 3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethyl-; 3-Cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7(1H,3H,8H)-trione; 3-Cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethyl-1H,8H-pyrido[2,3-d]pyrimidine-2,4,7-trione; GSK 1375981ATrametinib impurity 03SCHEMBL1419565

이름 더 보기

Trametinib Impurity 4Trametinib INTTrametinibImpurity12

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 81.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 27
형식 전하: 0
복잡도: 806

물리화학적 성질

끓는 점: 518.2 · 518.2±60.0 °C(Predicted)
밀도: 1.94 · 1.94±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C(protect from light)
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 4.5 · 4.50±1.00(Predicted)
색상: 흰색에서 황백색까지
InChI: InChI=1S/C18H15FIN3O4/c1-8-14(24)13-15(21(2)16(8)25)23(12-6-3-9(20)7-11(12)19)18(27)22(17(13)26)10-4-5-10/h3,6-7,10,24H,4-5H2,1-2H3
InChIKey: MHHFXMZMCYWCJQ-UHFFFAOYSA-N
SMILES: C1(=O)N(C2CC2)C(=O)C2C(O)=C(C)C(=O)N(C)C=2N1C1=CC=C(I)C=C1F