Nazwa analitu

1-(2-Chlorophenyl)-3-(1,1-dimethylethyl)-4-(4-fluorophenyl)-1,4,6,7-tetrahydro-7-oxo-8H-pyrazolo[3,4-e][1,4]thiazepine-8-acetic Acid

Numer CAS

1047603-04-2

Wzór cząsteczkowy

C24 H23 Cl F N3 O3 S

Masa cząsteczkowa

487.974

Dokładna masa

487.113

SMILES

CC(C)(C)c1nn(c2N(CC(=O)O)C(=O)CSC(c3ccc(F)cc3)c12)c4ccccc4Cl

InChI

InChI=1S/C24H23ClFN3O3S/c1-24(2,3)22-20-21(14-8-10-15(26)11-9-14)33-13-18(30)28(12-19(31)32)23(20)29(27-22)17-7-5-4-6-16(17)25/h4-11,21H,12-13H2,1-3H3,(H,31,32)

IUPAC

2-[3-tert-butyl-1-(2-chlorophenyl)-4-(4-fluorophenyl)-7-oxo-4H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetic acid

Temperatura podczas transportu

Room Temperature

Kraj pochodzenia

CANADA

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