MedKooCat#:200444
Name:ABT-737
CAS#:852808-04-9
ChemicalFormula:C42H45ClN6O5S2
ExactMass:812.25814
MolecularWeight:813.43
ElementalAnalysis:C,62.02;H,5.58;Cl,4.36;N,10.33;O,9.83;S,7.88
Synonym:ABT737;ABT-737;ABT737.
IUPAC/ChemicalName:(R)-4-(4-((4"-chloro-[1,1"-biphenyl]-2-yl)methyl)piperazin-1-yl)-N-((4-((4-(dimethylamino)-1-(phenylthio)butan-2-yl)amino)-3-nitrophenyl)sulfonyl)benzamide
InChiKey:HPLNQCPCUACXLM-PGUFJCEWSA-N
InChiCode:InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h4-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1
SMILESCode:O=C(NS(=O)(C1=CC=C(N[C@H](CCN(C)C)CSC2=CC=CC=C2)C([N+]([O-])=O)=C1)=O)C3=CC=C(N4CCN(CC5=CC=CC=C5C6=CC=C(Cl)C=C6)CC4)C=C3
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