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Lycoramine Hydrobromide

CAT: 0926-PDA50576-03Size: 2 gDry Ice: NoHazardous: No
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CAT#:0926-PDA50576-03Size:2 g
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CAS Number
89505-76-0
MDL Number
MFCD00238632
Smiles
CN1CCC23CCC (CC2OC4=C (C=CC (=C34) C1) OC) O.Br
Molecular Formula
C17H23NO3·HBr
Molecular Weight
289.38 g/mol
Controlled
No

Chemical Information

Lycoramine hydrobromide
CAS Number89505-76-0
PubChem CID24721122
IUPAC Name(1R,12S,14S)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9-trien-14-ol;hydrobromide
Molecular FormulaC17H24BrNO3
Molecular Weight370.3
Topological Polar Surface Area41.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count22
Formal Charge0
Complexity403
SMILES
CN1CC[C@@]23CC[C@@H](C[C@@H]2OC4=C(C=CC(=C34)C1)OC)O.Br
InChI
InChI=1S/C17H23NO3.BrH/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17;/h3-4,12,14,19H,5-10H2,1-2H3;1H/t12-,14-,17-;/m0./s1
InChIKey
ICGKMCUNORDOLD-XPSHAMGMSA-N
Chemical Structure
2D Structure
2D structure of Lycoramine hydrobromide
CAS: 89505-76-0
CID: 24721122
Formula: C17H24BrNO3
MW: 370.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight370.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass369.09396
Monoisotopic Mass369.09396
Topological Polar Surface Area41.9 Ų
Heavy Atom Count22
Formal Charge0
Complexity403
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes