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Muramine

CAT: 0926-CAA29220-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0926-CAA29220-01Size:1 mg
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CAS Number
2292-20-8
Smiles
CN1CCC2=CC (=C (C=C2C (=O) CC3=C (C1) C (=C (C=C3) OC) OC) OC) OC
Molecular Formula
C22H27NO5
Molecular Weight
385.5 g/mol
Controlled
No

Chemical Information

Muramine

Muramine is a dibenzazecine alkaloid that is 5,7,8,14-tetrahydrodibenzo[c,g]azecin-13(6H)-one substituted by a methyl group at position 6 and by methoxy groups at positions 3, 4, 10, and 11. It has a role as a plant metabolite. It is an aromatic ether, a dibenzazecine alkaloid and a tertiary amino compound.

CAS Number2292-20-8
PubChem CID288122
IUPAC Name3,4,10,11-tetramethoxy-6-methyl-5,7,8,14-tetrahydrobenzo[e][2]benzazecin-13-one
Molecular FormulaC22H27NO5
Molecular Weight385.5
XLogP3
Topological Polar Surface Area57.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity515
SMILES
CN1CCC2=CC(=C(C=C2C(=O)CC3=C(C1)C(=C(C=C3)OC)OC)OC)OC
InChI
InChI=1S/C22H27NO5/c1-23-9-8-15-11-20(26-3)21(27-4)12-16(15)18(24)10-14-6-7-19(25-2)22(28-5)17(14)13-23/h6-7,11-12H,8-10,13H2,1-5H3
InChIKey
HUIJAZQRYSCNED-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Muramine
CAS: 2292-20-8
CID: 288122
Formula: C22H27NO5
MW: 385.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight385.5
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass385.18892296
Monoisotopic Mass385.18892296
Topological Polar Surface Area57.2 Ų
Heavy Atom Count28
Formal Charge0
Complexity515
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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