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Lycorine hydrobromide

CAT: 0926-FL65802-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-FL65802-02Size:100 mg
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CAS Number
52456-64-1
MDL Number
MFCD00238633
Smiles
Br.O[C@H]1C=C2CCN3Cc4cc5OCOc5cc4[C@H] ([C@@H]1O) [C@@H]23
Molecular Formula
C16H17NO4·BrH
Molecular Weight
368.22 g/mol
Controlled
No

Chemical Information

Lycorine hydrobromide
CAS Number52456-64-1
PubChem CID52994230
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;hydrobromide
Molecular FormulaC16H18BrNO4
Molecular Weight368.22
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.Br
InChI
InChI=1S/C16H17NO4.BrH/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
GBCCTRMMRANLEE-NVJKKXITSA-N
Chemical Structure
2D Structure
2D structure of Lycorine hydrobromide
CAS: 52456-64-1
CID: 52994230
Formula: C16H18BrNO4
MW: 368.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight368.22
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass367.04192
Monoisotopic Mass367.04192
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

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