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关于此项目
经验公式(希尔记法):
C27H25F2N3OS
化学文摘社编号:
分子量:
477.57
NACRES:
NA.77
PubChem Substance ID:
UNSPSC Code:
12352200
MDL number:
Form:
powder
form
powder
Quality Segment
color
white
solubility
methanol: >10 mg/mL, DMSO: >10.1 mg/mL, 2-hydroxypropyl-β-cyclodextrin: insoluble, H2O: insoluble, dilute aqueous base: insoluble
SMILES string
CC1=C(CCN2CCC(\CC2)=C(\c3ccc(F)cc3)c4ccc(F)cc4)C(=O)N5C=CSC5=N1
InChI
1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3
InChI key
JUQLTPCYUFPYKE-UHFFFAOYSA-N
Gene Information
human ... HTR2A(3356)
rat ... Adra1a(29412), Drd2(24318), Htr1a(24473), Htr2a(29595), Htr7(65032)
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
存储类别
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
