Concept information
Preferred term
(2S) 2 [(4R,5S) 8 bromo 5 [[cyclopropylmethyl(methyl)amino] methyl] 4 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
- C19H29BrN2O4S
inchi
- InChI=1S/C19H29BrN2O4S/c1-13-9-22(14(2)12-23)27(24,25)19-7-6-16(20)8-17(19)26-18(13)11-21(3)10-15-4-5-15/h6-8,13-15,18,23H,4-5,9-12H2,1-3H3/t13-,14+,18-/m1/s1
inchikey
- NQKVBKPKEYEFNC-QWQRMKEZSA-N
mass
- 461.415
monoisotopicmass
- 460.10314
smiles
- C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)Br)O[C@@H]1CN(C)CC3CC3)[C@@H](C)CO
subset
- 2_STAR
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:113892
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