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Austamide

CAT: 0013-GTR19277975-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19277975-01Size:1 mg
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Description
Austamide is a high-purity biochemical reagent suitable for biochemical experiments and drug synthesis research.
CAS Number
34427-31-1
Smiles
[H][C@@]12C[C@@]3 (NC4=CC=CC=C4C3=O) C (C) (C) C=CN1C (=O) C1=CCCN1C2=O
Molecular Formula
C21H21N3O3
Molecular Weight
363.42
Notes
For research use only.

Chemical Information

Austamide

Austamide is an organic heterobicyclic compound and an organonitrogen heterocyclic compound.

CAS Number34427-31-1
PubChem CID12299923
IUPAC Name(9S)-12,12-dimethylspiro[1,7-diazatricyclo[7.5.0.03,7]tetradeca-3,13-diene-11,2'-1H-indole]-2,3',8-trione
Molecular FormulaC21H21N3O3
Molecular Weight363.4
XLogP2.5
Topological Polar Surface Area69.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count27
Formal Charge0
Complexity798
SMILES
CC1(C=CN2[C@@H](CC13C(=O)C4=CC=CC=C4N3)C(=O)N5CCC=C5C2=O)C
InChI
InChI=1S/C21H21N3O3/c1-20(2)9-11-24-16(19(27)23-10-5-8-15(23)18(24)26)12-21(20)17(25)13-6-3-4-7-14(13)22-21/h3-4,6-9,11,16,22H,5,10,12H2,1-2H3/t16-,21?/m0/s1
InChIKey
LBFQJHHYMJAUKS-BJQOMGFOSA-N
Chemical Structure
2D Structure
2D structure of Austamide
CAS: 34427-31-1
CID: 12299923
Formula: C21H21N3O3
MW: 363.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight363.4
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass363.15829154
Monoisotopic Mass363.15829154
Topological Polar Surface Area69.7 Ų
Heavy Atom Count27
Formal Charge0
Complexity798
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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