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Amabiline

CAT: 0931-T25070-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T25070-03Size:50 mg
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CAS Number
17958-43-9
Target
Others, Parasite
Related Pathways
Others, Microbiology/Virology
Bioactivity
Amabiline is an alkaloid with antimalarial activity.
Smiles
[H][C@@]12CCCN1CC=C2COC(=O)[C@](O)(C(C)C)[C@H](C)O |c:8,@@:15|
Molecular Formula
C15H25NO4
Molecular Weight
283.368
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

((7aS)-2,3,5,7a-Tetrahydro-1H-pyrrolizin-7-yl)methyl (2S,3S)-2,3-dihydroxy-2-(1-methylethyl)butanoate

Amabiline is a carboxylic ester obtained by formal condensation of the carboxy group of (2S,3S)-2,3-dihydroxy-2-isopropylbutanoic acid with the hydroxy group of (7aS)-2,3,5,7a-tetrahydropyrrolizin-7-ylmethanol. It has a role as a plant metabolite. It is a tertiary alcohol, a carboxylic ester, a secondary alcohol, a member of pyrrolizines, a butyrate ester and a pyrrolizidine alkaloid.

CAS Number17958-43-9
PubChem CID442706
IUPAC Name[(8S)-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate
Molecular FormulaC15H25NO4
Molecular Weight283.36
XLogP0.5
Topological Polar Surface Area70
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count20
Formal Charge0
Complexity407
SMILES
C[C@@H]([C@@](C(C)C)(C(=O)OCC1=CCN2[C@H]1CCC2)O)O
InChI
InChI=1S/C15H25NO4/c1-10(2)15(19,11(3)17)14(18)20-9-12-6-8-16-7-4-5-13(12)16/h6,10-11,13,17,19H,4-5,7-9H2,1-3H3/t11-,13-,15-/m0/s1
InChIKey
DRVWTOSBCBKXOR-WHOFXGATSA-N
Chemical Structure
2D Structure
2D structure of ((7aS)-2,3,5,7a-Tetrahydro-1H-pyrrolizin-7-yl)methyl (2S,3S)-2,3-dihydroxy-2-(1-methylethyl)butanoate
CAS: 17958-43-9
CID: 442706
Formula: C15H25NO4
MW: 283.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight283.36
XLogP30.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass283.17835828
Monoisotopic Mass283.17835828
Topological Polar Surface Area70 Ų
Heavy Atom Count20
Formal Charge0
Complexity407
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5774808Amabiline
441302-01(+) -Amabiline
TRC-A575970-50MG(+)-Amabiline
TRC-A575971-5MGAmabiline N-Oxide

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