Concept information
...
organic heterocyclic compound
organic heteropolycyclic compound
organic heterobicyclic compound
benzodioxoles
Preferred term
(2s,3s)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-9-(dimethylamino)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-2,3,4,7-tetrahydro-1,5-benzoxazonin-6-one
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C27H37N3O5
inchi
- InChI=1S/C27H37N3O5/c1-18-13-30(19(2)16-31)27(32)12-21-11-22(28(3)4)7-9-23(21)35-26(18)15-29(5)14-20-6-8-24-25(10-20)34-17-33-24/h6-11,18-19,26,31H,12-17H2,1-5H3/t18-,19+,26+/m0/s1
inchikey
- VAKWQMKHOINUIK-GNBJCERTSA-N
mass
- 483.601
monoisotopicmass
- 483.27332
smiles
- C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)N(C)C)O[C@@H]1CN(C)CC3=CC4=C(C=C3)OCO4)[C@H](C)CO
subset
- 2_STAR
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:124817
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