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Bipolamine G

CAT: 0013-GTR19220374-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19220374-02Size:50 mg
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Description
Bipolamine G is a polyketide-derived alkaloid compound with antibacterial properties. It serves as a research tool for investigating novel antimicrobial agents in both in vitro assays and in vivo model studies related to infectious diseases.
CAS Number
1357824-71-5
Field of Research
Infectious Disease & Virology, Metabolism Research
Smiles
[C@@H] (C) (O) [C@]12C3 ([C@] ([C@@] (O1) ([C@H] (C) N4C3=CC=C4C) [H]) (N5C ([C@@H] (OC) [C@@H]2O) =CC=C5C) [H]) [H]
Molecular Formula
C21H28N2O4
Molecular Weight
372.46
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Bipolamine G

Bipolamine G is an organic heterobicyclic compound and an organonitrogen heterocyclic compound.

CAS Number1357824-71-5
PubChem CID156582311
IUPAC Name(1R,2S,8S,9R,10R,12R,13R)-10-[(1S)-1-hydroxyethyl]-8-methoxy-4,13,15-trimethyl-11-oxa-3,14-diazapentacyclo[8.8.0.02,12.03,7.014,18]octadeca-4,6,15,17-tetraen-9-ol
Molecular FormulaC21H28N2O4
Molecular Weight372.5
XLogP0.8
Topological Polar Surface Area68.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count27
Formal Charge0
Complexity605
SMILES
C[C@@H]1[C@@H]2[C@@H]3[C@H](C4=CC=C(N14)C)[C@](O2)([C@@H]([C@H](C5=CC=C(N35)C)OC)O)[C@H](C)O
InChI
InChI=1S/C21H28N2O4/c1-10-6-8-14-16-17-18(12(3)22(10)14)27-21(16,13(4)24)20(25)19(26-5)15-9-7-11(2)23(15)17/h6-9,12-13,16-20,24-25H,1-5H3/t12-,13+,16+,17+,18-,19+,20-,21+/m1/s1
InChIKey
ZDGRLFJJTVAFQR-YIONPTFZSA-N
Chemical Structure
2D Structure
2D structure of Bipolamine G
CAS: 1357824-71-5
CID: 156582311
Formula: C21H28N2O4
MW: 372.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight372.5
XLogP30.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass372.20490738
Monoisotopic Mass372.20490738
Topological Polar Surface Area68.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity605
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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