Concept information
Preferred term
(2r)-2-[(4s,5r)-8-(2-methoxyphenyl)-4-methyl-5-[[methyl(4-oxanylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-2-yl]-1-propanol
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C28H40N2O6S
inchi
- InChI=1S/C28H40N2O6S/c1-20-16-30(21(2)19-31)37(32,33)28-10-9-23(24-7-5-6-8-25(24)34-4)15-26(28)36-27(20)18-29(3)17-22-11-13-35-14-12-22/h5-10,15,20-22,27,31H,11-14,16-19H2,1-4H3/t20-,21+,27-/m0/s1
inchikey
- XVNXZMOLFFKQAU-ISCCLHIJSA-N
mass
- 532.694
monoisotopicmass
- 532.26071
smiles
- C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CC=CC=C3OC)O[C@H]1CN(C)CC4CCOCC4)[C@H](C)CO
subset
- 2_STAR
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:114076
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