CAS Number170902-81-5
SynonymsExact Mass 534.150208; LogP 4.23; Index of Refraction 1.564; AprepitantBioassay; View more; Name: Rucaparib conditional oncology-focused drug screen on ovarian cancer cells.; Source: 24139; External Id: Rucaparib conditional drug screen of ovarian cancer cells; Name: Cytochrome P450 family 3 subfamily A member 7 (CYP3A7) small molecule antagonists: lu...; Source: NCGC; External Id: CYP3A7681; Name: Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VER...; Source: ChEMBL; Target: Severe acute respiratory syndrome coronavirus 2; External Id: CHEMBL4513082; Name: Cytochrome P450 family 3 subfamily A member 4 (CYP3A4) small molecule antagonists: lu...; External Id: CYP3A4437; Name: Cytochrome P450 family 2 subfamily D member 6 (CYP2D6) small molecule antagonists
Molecular FormulaC23H21F7N4O3
Molecular Weight534.427
Density1.5±0.1 g/cm3
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 170902-81-5 |
| Catalog No. | 2A-0200766 |
| Chinese Name | 阿瑞匹坦杂质 |
| Synonyms | Exact Mass 534.150208; LogP 4.23; Index of Refraction 1.564; AprepitantBioassay; View more; Name: Rucaparib conditional oncology-focused drug screen on ovarian cancer cells.; Source: 24139; External Id: Rucaparib conditional drug screen of ovarian cancer cells; Name: Cytochrome P450 family 3 subfamily A member 7 (CYP3A7) small molecule antagonists: lu...; Source: NCGC; External Id: CYP3A7681; Name: Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VER...; Source: ChEMBL; Target: Severe acute respiratory syndrome coronavirus 2; External Id: CHEMBL4513082; Name: Cytochrome P450 family 3 subfamily A member 4 (CYP3A4) small molecule antagonists: lu...; External Id: CYP3A4437; Name: Cytochrome P450 family 2 subfamily D member 6 (CYP2D6) small molecule antagonists |
| Molecular Formula | C23H21F7N4O3 |
| Molecular Weight | 534.427 |
| Density | 1.5±0.1 g/cm3 |
| PubChem ID | 99307250 |
| InChI | InChI=1S/C23H21F7N4O3/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)37-20-19(13-2-4-17(24)5-3-13)34(6-7-36-20)11-18-31-21(35)33-32-18/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H2,31,32,33,35)/t12-,19-,20+/m0/s1 |
| InChI Key | ATALOFNDEOCMKK-OCCQLPPTSA-N |
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