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Alkaloids

(-)-Anatabine

(S)-(-)-新烟草碱

PHY-NP-08537 · Natural product research catalog

Catalog numberPHY-NP-08537
CAS number581-49-7
Molecular formulaC10H12N2
Molecular weight160.22 g/mol
Chemical classAlkaloids
Main reported sourceNicotiana tabacum
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of (-)-Anatabine

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Product information

(-)-Anatabine is listed in the Alkaloids section of the Phytide Bio research catalog. Standard pack sizes are 5, 10, 20, 50 and 100 mg.

For research use only. Not for human or veterinary use, diagnosis or treatment.

Names & identifiers

IUPAC name3-[(2S)-1,2,3,6-tetrahydropyridin-2-yl]pyridine
SMILESC1C=CCN[C@@H]1C2=CN=CC=C2
InChIKeySOPPBXUYQGUQHE-JTQLQIEISA-N
Subclass / scaffoldNicotinic acid alkaloids:Pyridine alkaloids
PubChem CID11388

Computed properties

Exact mass (Da)160.1Predicted LogP1.6722
Predicted TPSA (Ų)24.92H-bond donors1
H-bond acceptors2Rotatable bonds1

Calculated values from the supplied dataset; not measured batch specifications.

View additional properties & classification
Ring count2
Aromatic rings1
Fraction Csp³0.3
Synthetic accessibility score3.31
QED score0.632
Lipinski rule violations0
NPClassifier pathwayAlkaloids
NPClassifier superclassNicotinic acid alkaloids
NPClassifier classPyridine alkaloids
Parent SMILESC1=CC[C@@H](c2cccnc2)NC1
Parent formulaC10H12N2
Parent molecular weight160.22
Specified stereocenters1
Unspecified stereocenters0

Reported natural occurrence

Main reported sourceNicotiana tabacum
Reported source familiesSolanaceae

Reported natural occurrence does not establish the manufacturing origin of the supplied material.

View occurrence records & references
LOTUS / Wikidata speciesNicotiana tabacum[4]; Nicotiana alata[2]; Duboisia hopwoodii[1]; Nicotiana acaulis[1]; Nicotiana acuminata[1]; Nicotiana africana[1]; Nicotiana ameghinoi[1]; Nicotiana amplexicaulis[1]; Nicotiana arentsii[1]; Nicotiana attenuata[1]; Nicotiana benavidesii[1]; Nicotiana benthamiana[1]; Nicotiana bonariensis[1]; Nicotiana cavicola[1]; Nicotiana clevelandii[1]
All reported source familiesSolanaceae[64]
LOTUS species records64
LOTUS reference records6
COCONUT occurrence recordsDuboisia hopwoodii; Nicotiana Tabacum; Nicotiana acaulis; Nicotiana acuminata; Nicotiana africana; Nicotiana alata; Nicotiana ameghinoi; Nicotiana amplexicaulis; Nicotiana arentsii; Nicotiana attenuata; Nicotiana benavidesii; Nicotiana benthamiana; Nicotiana bigelovii; Nicotiana bonariensis; Nicotiana cavicola; Nicotiana clevelandii; Nicotiana cordifolia; Nicotiana corymbosa; Nicotiana debneyi; Nicotiana excelsior; Nicotiana exigua; Nicotiana forgetiana; Nicotiana forsteri; Nicotiana fragrans; Nicotiana glauca; Nicotiana glutinosa; Nicotiana goodspeedii; Nicotiana gossei; Nicotiana hesperis; Nicotiana ingulba
COCONUT organism records72
COCONUT identifierCNP0128543.1

Records are inherited from the supplied dataset and are not independently verified. Taxonomic names may include synonyms.

Documents & specifications

Certificate of analysis (COA)Batch-specific COA available on request; no PDF published yet
Safety data sheet (SDS)Not yet published
Storage / solubilityProduct-specific conditions to be confirmed
ShippingConfirmed with the quotation

Request applicable documentation and handling information before ordering or use.