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Lycorine (hydrochloride monohydrate)

CAT: 0127-OR1005682-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR1005682-01Size:1 g
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CAS Number
6150-58-9
Purity
98%
Smiles
O[C@H]1[C@]2([H])[C@]3([H])N(CCC3=C[C@@H]1O)CC4=CC(OCO5)=C5C=C24.O.Cl

Chemical Information

Lycorine Hydrochloride Monohydrate
CAS Number6150-58-9
PubChem CID70446239
IUPAC Name(1S,17S,18S,19S)-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,15-tetraene-17,18-diol;hydrate;hydrochloride
Molecular FormulaC16H20ClNO5
Molecular Weight341.78
Topological Polar Surface Area63.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Heavy Atom Count23
Formal Charge0
Complexity481
SMILES
C1CN2CC3=CC4=C(C=C3[C@H]5[C@H]2C1=C[C@@H]([C@H]5O)O)OCO4.O.Cl
InChI
InChI=1S/C16H17NO4.ClH.H2O/c18-11-3-8-1-2-17-6-9-4-12-13(21-7-20-12)5-10(9)14(15(8)17)16(11)19;;/h3-5,11,14-16,18-19H,1-2,6-7H2;1H;1H2/t11-,14-,15+,16+;;/m0../s1
InChIKey
ZOERACVSGIQXBP-CANOEZFNSA-N
Chemical Structure
2D Structure
2D structure of Lycorine Hydrochloride Monohydrate
CAS: 6150-58-9
CID: 70446239
Formula: C16H20ClNO5
MW: 341.78
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight341.78
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Exact Mass341.1030004
Monoisotopic Mass341.1030004
Topological Polar Surface Area63.2 Ų
Heavy Atom Count23
Formal Charge0
Complexity481
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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