BIAdb Thiocholchicine 3426

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BIAdb Thiocholchicine 3426
Systematic (IUPAC) name
N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide
Identifiers
CAS number	?
ATC code	?
PubChem	17648
Chemical data
Formula	C22H25NO5S
Mol. mass	415.5026
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

Contents 1 Description 2 Source 3 Function 4 General Properties 5 External Links

Description

Source

N/A

Function

Anticancer

General Properties

*Molecular Weight

415.5026

*Exact Mass

415.145344

*Molecular Formula

C₂₂H₂₅NO₅S

*IUPAC NAME

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

*Canonical Smiles

CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC

*Isomeric Smiles

CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC

*XLogP

1.8

*Hydrogen bond donor

1

*Hydrogen bond acceptor

5

*Rotational Bond Count

5

*Topological Polar Surface Area

73.9

External Links

• Pubchem

Link to BIAdb Database