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Koumidine

CAT: 0013-GTR19243059-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19243059-01Size:50 mg
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Description
Koumidine is a natural product for life sciences research. It serves as a valuable tool compound for investigating biological mechanisms in both in vitro and in vivo experimental models, as referenced in scientific literature.
CAS Number
1358-75-4
Smiles
C (O) [C@@H]1[C@]2 ([N@@]3[C@] (C4=C (C=5C (N4) =CC=CC5) C2) (C[C@]1 (\C (=C\C) \C3) [H]) [H]) [H]
Molecular Formula
C19H22N2O
Molecular Weight
294.40
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Sarpagan-17-ol, (16S,19Z)-
CAS Number1358-75-4
PubChem CID11312436
IUPAC Name[(1S,12S,13S,14R,15Z)-15-ethylidene-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraen-13-yl]methanol
Molecular FormulaC19H22N2O
Molecular Weight294.4
XLogP2.1
Topological Polar Surface Area39.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count22
Formal Charge0
Complexity490
SMILES
C/C=C/1\CN2[C@H]3C[C@@H]1[C@@H]([C@@H]2CC4=C3NC5=CC=CC=C45)CO
InChI
InChI=1S/C19H22N2O/c1-2-11-9-21-17-8-14-12-5-3-4-6-16(12)20-19(14)18(21)7-13(11)15(17)10-22/h2-6,13,15,17-18,20,22H,7-10H2,1H3/b11-2+/t13-,15-,17-,18-/m0/s1
InChIKey
VXTDUGOBAOLMED-DBPFMDJSSA-N
Chemical Structure
2D Structure
2D structure of Sarpagan-17-ol, (16S,19Z)-
CAS: 1358-75-4
CID: 11312436
Formula: C19H22N2O
MW: 294.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight294.4
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass294.173213330
Monoisotopic Mass294.173213330
Topological Polar Surface Area39.3 Ų
Heavy Atom Count22
Formal Charge0
Complexity490
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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