API0233189
Maraviroc
Maralixibat Chloride is used for cholestatic pruritus.
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CAS No.
376348-65-1
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Synonyms
Maraviroc; 376348-65-1; Celsentri
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CHEMBL ID
CHEMBL584744
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Molecule Type
Small molecule
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Compound CID
3002977
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Molecular Weight (g/mol)
513.7
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Molecular Formula
C29H41F2N5O
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InChI
InChI=1S/C29H41F2N5O/c1-19(2)27-34-33-20(3)36(27)25-17-23-9-10-24(18-25)35(23)16-13-26(21-7-5-4-6-8-21)32-28(37)22-11-14-29(30,31)15-12-22/h4-8,19,22-26H,9-18H2,1-3H3,(H,32,37)/t23-,24+,25?,26-/m0/s1
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InChIKey
GSNHKUDZZFZSJB-HLMSNRGBSA-N
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SMILES
CC1=NN=C(N1C2C[C@H]3CC[C@@H](C2)N3CC[C@@H](C4=CC=CC=C4)NC(=O)C5CCC(CC5)(F)F)C(C)C
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IUPAC Name
4,4-difluoro-N-[(1S)-3-[(1R,5S)-3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide
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Exact Mass (Da)
513.32791727
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Monoisotopic Mass (Da)
513.32791727
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