Catalog Number
ACM60048886
Product Name
N-Demethylechitamine
Category
Heterocyclic Organic Compound
InChI
InChI=1S/C21H26N2O4/c1-3-13-11-23-9-8-20-14-6-4-5-7-16(14)22-21(20,23)17(25)10-15(13)19(20,12-24)18(26)27-2/h3-7,15,17,22,24-25H,8-12H2,1-2H3/b13-3-/t15-,17-,19?,20-,21-/m0/s1
InChI Key
VZZBVNLFHYEUHM-MEASUVLSSA-N
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
4
Hydrogen Bond Acceptor Count
6
Hydrogen Bond Donor Count
3
Isomeric SMILES
C/C=C\1/CN2CC[C@@]34[C@@]2([C@H](C[C@@H]1C3(CO)C(=O)OC)O)NC5=CC=CC=C45
Monoisotopic Mass
370.18925731
Topological Polar Surface Area
82 Ų
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