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Lycorine hydrochloride

CAT: 0024-sc-200917ASize: 50 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-200917ASize:50 mg
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CAS Number
2188-68-3

Chemical Information

Lycorine hydrochloride

See also: Lycorine (annotation moved to).

CAS Number2188-68-3
PubChem CID164943
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;hydrochloride
Molecular FormulaC16H18ClNO4
Molecular Weight323.77
Topological Polar Surface Area62.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count22
Formal Charge0
Complexity481
SMILES
C1CN2CC3=CC4=C(C=C3[C@H]5[C@H]2C1=C[C@@H]([C@H]5O)O)OCO4.Cl
InChI
InChI=1S/C16H17NO4.ClH/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/t11-,14-,15+,16+;/m0./s1
InChIKey
VUVNTYCHKZBOMV-NVJKKXITSA-N
Chemical Structure
2D Structure
2D structure of Lycorine hydrochloride
CAS: 2188-68-3
CID: 164943
Formula: C16H18ClNO4
MW: 323.77
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight323.77
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass323.0924357
Monoisotopic Mass323.0924357
Topological Polar Surface Area62.2 Ų
Heavy Atom Count22
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 Count2
Compound Is CanonicalizedYes