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Anhydro galanthamine

CAT: 0926-PBB99565-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-PBB99565-02Size:10 mg
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CAS Number
664995-65-7
Smiles
CN1CCC23C=CC=CC2OC4=C (C=CC (=C34) C1) OC
Molecular Formula
C17H19NO2
Molecular Weight
269.34 g/mol
Controlled
No

Chemical Information

R-116937
CAS Number664995-65-7
PubChem CID10084442
IUPAC Name(1S,12S)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,13,15-pentaene
Molecular FormulaC17H19NO2
Molecular Weight269.34
XLogP2.9
Topological Polar Surface Area21.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity446
SMILES
CN1CC[C@@]23C=CC=C[C@@H]2OC4=C(C=CC(=C34)C1)OC
InChI
InChI=1S/C17H19NO2/c1-18-10-9-17-8-4-3-5-14(17)20-16-13(19-2)7-6-12(11-18)15(16)17/h3-8,14H,9-11H2,1-2H3/t14-,17-/m0/s1
InChIKey
HPWHKLZOMVLIBL-YOEHRIQHSA-N
Chemical Structure
2D Structure
2D structure of R-116937
CAS: 664995-65-7
CID: 10084442
Formula: C17H19NO2
MW: 269.34
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight269.34
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass269.141578849
Monoisotopic Mass269.141578849
Topological Polar Surface Area21.7 Ų
Heavy Atom Count20
Formal Charge0
Complexity446
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes