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Picrasidine A

CAT: 0926-HDA65220-04Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-HDA65220-04Size:50 mg
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CAS Number
82652-20-8
MDL Number
MFCD17214773
Smiles
COC1=CC=CC2=C1NC3=C2C (=CN=C3CCC (=O) C4=NC=CC5=C4NC6=CC=CC=C56) OC
Molecular Formula
C27H22N4O3
Molecular Weight
450.5 g/mol
Controlled
No

Chemical Information

Picrasidine A

3-{4,8-dimethoxy-9H-pyrido[3,4-b]indol-1-yl}-1-{9H-pyrido[3,4-b]indol-1-yl}propan-1-one has been reported in Picrasma quassioides with data available.

CAS Number82652-20-8
PubChem CID5315686
IUPAC Name3-(4,8-dimethoxy-9H-pyrido[3,4-b]indol-1-yl)-1-(9H-pyrido[3,4-b]indol-1-yl)propan-1-one
Molecular FormulaC27H22N4O3
Molecular Weight450.5
XLogP4.6
Topological Polar Surface Area92.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count34
Formal Charge0
Complexity737
SMILES
COC1=CC=CC2=C1NC3=C2C(=CN=C3CCC(=O)C4=NC=CC5=C4NC6=CC=CC=C56)OC
InChI
InChI=1S/C27H22N4O3/c1-33-21-9-5-7-17-23-22(34-2)14-29-19(26(23)31-24(17)21)10-11-20(32)27-25-16(12-13-28-27)15-6-3-4-8-18(15)30-25/h3-9,12-14,30-31H,10-11H2,1-2H3
InChIKey
MSRXRROCBIUJCG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Picrasidine A
CAS: 82652-20-8
CID: 5315686
Formula: C27H22N4O3
MW: 450.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight450.5
XLogP34.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass450.16919058
Monoisotopic Mass450.16919058
Topological Polar Surface Area92.9 Ų
Heavy Atom Count34
Formal Charge0
Complexity737
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

Alternative Products

CatalogName
T124149-01Picrasidine A
GTR19227654-01Picrasidine T
T24638-01Picrasidine M
HY-N3070Picrasidine S
TN4785Picrasidine I
MBS5778098Picrasidine N
TN6651Picrasidine Q
CS-BT-00506Picrasidine J

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