N-Desacetyl-N-adamantoyl-thiocolchicine

N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]adamantane-1-carboxamide

CAS: 60864-99-5

Molecular Formula	`C31H37NO5S`
Molecular Weight	535.7 g/mol
LogP	4.3
Topological Polar Surface Area	99.2 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	6
Exact Mass	535.23926
Heavy Atoms	38
Complexity	1020.0

Chemical Identifiers

CAS Number	60864-99-5
SMILES	`COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC(=O)C45CC6CC(C4)CC(C6)C5)OC)OC`
InChIKey	`XZCAOCHCMOFVSD-QNIFSHABSA-N`

📖 Product Overview

N-Desacetyl-N-adamantoyl-thiocolchicine (CAS: 60864-99-5) is a chemical compound with molecular formula C31H37NO5S and molecular weight 535.7 g/mol. Its IUPAC systematic name is N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]adamantane-1-carboxamide. LogP 4.3 Topological Polar Surface Area 99.2 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 6 Rotatable Bonds 6 Exact Mass 535.23926 Heavy Atoms 38 Complexity 1020.0 InChI Key: XZCAOCHCMOFVSD-QNIFSHABSA-N. SMILES: COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC(=O)C45CC6CC(C4)CC(C6)C5)OC)OC.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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