BIAdb 2-demethylthiocolchicine 1032

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BIAdb 2-demethylthiocolchicine 1032
Systematic (IUPAC) name
N-[(7S)-2-hydroxy-1,3-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide
Identifiers
CAS number  ?
ATC code  ?
PubChem 55708
Chemical data
Formula C21H23NO5S
Mol. mass 401.47602
SMILES eMolecules & PubChem
Pharmacokinetic data
Bioavailability  ?
Metabolism  ?
Half life  ?
Excretion  ?
Therapeutic considerations
Pregnancy cat.

?

Legal status
Routes  ?

Contents

[edit] Description

[edit] Source

N/A

[edit] Function

Unknown

[edit] General Properties

*Molecular Weight

401.47602

*Exact Mass

401.129694

*Molecular Formula

C21H23NO5S

*IUPAC NAME

N-[(7S)-2-hydroxy-1,3-dimethoxy-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)O)OC

*Isomeric Smiles

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

*XLogP

1

*Hydrogen bond donor

2

*Hydrogen bond acceptor

5

*Rotational Bond Count

4

*Topological Polar Surface Area

84.9

[edit] External Links

Link to BIAdb Database