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Memantine N-b-D-glucuronide

CAT: 0926-MM45204-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0926-MM45204-01Size:2 mg
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CAS Number
1809031-06-8
Synonyms
3,5-Dimethyltricyclo[3.3.1.13,7]decan-1-amine b-D-glucuronide
Smiles
CC12CC3 (CC (CC (C1) (C3) C) C2) N[C@H]2[C@@H] ([C@H] ([C@@H] ([C@H] (O2) CO) O) O) O
Molecular Formula
C18H29NO6
Molecular Weight
355.43 g/mol
Controlled
No

Chemical Information

Memantine N-beta-D-Glucuronide
CAS Number1809031-06-8
PubChem CID139025167
IUPAC Name(2S,3S,4S,5R,6R)-6-[[(3R,5R)-3,5-dimethyl-1-adamantyl]amino]-3,4,5-trihydroxyoxane-2-carboxylic acid
Molecular FormulaC18H29NO6
Molecular Weight355.4
XLogP-0.9
Topological Polar Surface Area119
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity564
SMILES
C[C@@]12CC3C[C@](C1)(CC(C3)(C2)N[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)C
InChI
InChI=1S/C18H29NO6/c1-16-3-9-4-17(2,6-16)8-18(5-9,7-16)19-14-12(22)10(20)11(21)13(25-14)15(23)24/h9-14,19-22H,3-8H2,1-2H3,(H,23,24)/t9?,10-,11-,12+,13-,14+,16+,17+,18?/m0/s1
InChIKey
HYFLKMZNQYTCMY-OXJQGVFDSA-N
Chemical Structure
2D Structure
2D structure of Memantine N-beta-D-Glucuronide
CAS: 1809031-06-8
CID: 139025167
Formula: C18H29NO6
MW: 355.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight355.4
XLogP3-0.9
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass355.19948764
Monoisotopic Mass355.19948764
Topological Polar Surface Area119 Ų
Heavy Atom Count25
Formal Charge0
Complexity564
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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