CI-988 (meglumin)

cas: 130404-91-0 — see every product listed under this CAS number, including other names

CI-988 (meglumin) (CAS 130404-91-0) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas130404-91-0
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Structural formula: {0} (CAS {1})

4-[[(1R)-2-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-1-phenylethyl]amino]-4-oxobutanoic acid;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol (CAS 130404-91-0) is a chemical compound with the molecular formula C42H59N5O11 and a molecular weight of 809.9 g/mol. IUPAC name: 4-[[(1R)-2-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-1-phenylethyl]amino]-4-oxobutanoic acid;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol. InChIKey: DEZUAGYSLSZLFO-DRGCLBCYSA-N.

Identity
Molecular formulaC42H59N5O11
Molecular weight809.9 g/mol
IUPAC name4-[[(1R)-2-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-1-phenylethyl]amino]-4-oxobutanoic acid;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
InChIKeyDEZUAGYSLSZLFO-DRGCLBCYSA-N
SMILESC[C@@](CC1=CNC2=CC=CC=C21)(C(=O)NC[C@@H](C3=CC=CC=C3)NC(=O)CCC(=O)O)NC(=O)OC4C5CC6CC(C5)CC4C6.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O

Computed by PubChem (NCBI)

Synonyms: orb3173505

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