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Alkaloids

Camptosar

盐酸伊立替康

PHY-NP-09821 · Natural product research catalog

Catalog numberPHY-NP-09821
CAS number136572-09-3
Molecular formulaC33H45ClN4O9
Molecular weight677.195 g/mol
Chemical classAlkaloids
Main reported sourceTaiwanofungus camphoratus
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of Camptosar

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Product information

Camptosar 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 name[(19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] 4-piperidin-1-ylpiperidine-1-carboxylate;trihydrate;hydrochloride
SMILESCCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7.O.O.O.Cl
InChIKeyKLEAIHJJLUAXIQ-JDRGBKBRSA-N
Subclass / scaffoldTryptophan alkaloids:Pyrroloquinoline alkaloids
PubChem CID60837

Computed properties

Exact mass (Da)676.2875Predicted LogP4.0911
Predicted TPSA (Ų)114.2H-bond donors1
H-bond acceptors9Rotatable bonds4

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

View additional properties & classification
Ring count7
Aromatic rings3
Fraction Csp³0.515
Synthetic accessibility score3.63
QED score0.356
Lipinski rule violations1
NPClassifier pathwayAlkaloids
NPClassifier superclassTryptophan alkaloids
NPClassifier classPyrroloquinoline alkaloids
Parent SMILESCCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC
Parent formulaC33H38N4O6
Parent molecular weight586.689
Specified stereocenters1
Unspecified stereocenters0

Reported natural occurrence

Main reported sourceTaiwanofungus camphoratus
Reported source familiesTaiwanofungaceae; Fabaceae

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

View occurrence records & references
LOTUS / Wikidata speciesTaiwanofungus camphoratus[1]; liquorice[1]
All reported source familiesTaiwanofungaceae[1]; Fabaceae[1]
LOTUS species records2
LOTUS reference records2
COCONUT occurrence recordsGlycyrrhiza glabra; Glycyrrhiza uralensis; Phytolacca americana; Taiwanofungus camphoratus; liquorice
COCONUT organism records5
COCONUT identifierCNP0213768.1

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

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