API0232825
Romidepsin
Rolapitant Hydrochloride is an antiemetic drug.
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CAS No.
128517-07-7
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Synonyms
Romidepsin; Istodax; 128517-07-7
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CHEMBL ID
CHEMBL343448
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Molecule Type
Protein
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Compound CID
5352062
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Molecular Weight (g/mol)
540.7
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Molecular Formula
C24H36N4O6S2
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InChI
InChI=1S/C24H36N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15-9-7-8-10-35-36-12-17(22(31)25-16)26-23(32)19(13(2)3)27-18(29)11-15/h6-7,9,13-15,17,19-20H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,17-,19-,20+/m1/s1
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InChIKey
OHRURASPPZQGQM-GCCNXGTGSA-N
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SMILES
C/C=C\1/C(=O)N[C@H](C(=O)O[C@H]\2CC(=O)N[C@@H](C(=O)N[C@H](CSSCC/C=C2)C(=O)N1)C(C)C)C(C)C
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IUPAC Name
(1S,4S,7Z,10S,16E,21R)-7-ethylidene-4,21-di(propan-2-yl)-2-oxa-12,13-dithia-5,8,20,23-tetrazabicyclo[8.7.6]tricos-16-ene-3,6,9,19,22-pentone
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Exact Mass (Da)
540.20762723
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Monoisotopic Mass (Da)
540.20762723
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