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(+) -Glaucine hydrobromide

CAT: 0926-FG137572-01Size: 2 gDry Ice: NoHazardous: No
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CAT#:0926-FG137572-01Size:2 g
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CAS Number
5996-06-5
Synonyms
D-Glaucine hydrobromide
MDL Number
MFCD01752519
Smiles
O (C) C1=C2C=3[C@] (CC=4C2=CC (OC) =C (OC) C4) (N (C) CCC3C=C1OC) [H].Br
Molecular Formula
C21H26BrNO4
Molecular Weight
436.34 g/mol
Controlled
No

Chemical Information

Glaucine hydrobromide
CAS Number5996-06-5
PubChem CID165387
IUPAC Name(6aS)-1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline;hydrobromide
Molecular FormulaC21H26BrNO4
Molecular Weight436.3
Topological Polar Surface Area40.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity489
SMILES
CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC)OC)OC.Br
InChI
InChI=1S/C21H25NO4.BrH/c1-22-7-6-12-9-18(25-4)21(26-5)20-14-11-17(24-3)16(23-2)10-13(14)8-15(22)19(12)20;/h9-11,15H,6-8H2,1-5H3;1H/t15-;/m0./s1
InChIKey
DFFLCVRJWUOGPN-RSAXXLAASA-N
Chemical Structure
2D Structure
2D structure of Glaucine hydrobromide
CAS: 5996-06-5
CID: 165387
Formula: C21H26BrNO4
MW: 436.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight436.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass435.10452
Monoisotopic Mass435.10452
Topological Polar Surface Area40.2 Ų
Heavy Atom Count27
Formal Charge0
Complexity489
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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