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Pteropodine

CAT: 0926-FP137500-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-FP137500-02Size:25 mg
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CAS Number
5629-60-7
Synonyms
Uncarine c
MDL Number
MFCD03788764
Smiles
C[C@H]1[C@@H]2CN3CC[C@]4 ([C@@H]3C[C@@H]2C (=CO1) C (=O) OC) C5=CC=CC=C5NC4=O
Molecular Formula
C21H24N2O4
Molecular Weight
368.43 g/mol
Controlled
No

Chemical Information

Pteropodine

Uncarine C is a member of indolizines.

CAS Number5629-60-7
PubChem CID10429112
IUPAC Namemethyl (1S,4aS,5aS,6R,10aS)-1-methyl-2'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate
Molecular FormulaC21H24N2O4
Molecular Weight368.4
XLogP1.6
Topological Polar Surface Area67.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count27
Formal Charge0
Complexity692
SMILES
C[C@H]1[C@@H]2CN3CC[C@]4([C@@H]3C[C@@H]2C(=CO1)C(=O)OC)C5=CC=CC=C5NC4=O
InChI
InChI=1S/C21H24N2O4/c1-12-14-10-23-8-7-21(16-5-3-4-6-17(16)22-20(21)25)18(23)9-13(14)15(11-27-12)19(24)26-2/h3-6,11-14,18H,7-10H2,1-2H3,(H,22,25)/t12-,13-,14-,18-,21+/m0/s1
InChIKey
JMIAZDVHNCCPDM-QLMFUGSGSA-N
Chemical Structure
2D Structure
2D structure of Pteropodine
CAS: 5629-60-7
CID: 10429112
Formula: C21H24N2O4
MW: 368.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight368.4
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass368.17360725
Monoisotopic Mass368.17360725
Topological Polar Surface Area67.9 Ų
Heavy Atom Count27
Formal Charge0
Complexity692
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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