BIAdb Deacetylthiocolchicine chlorhydrate 1997

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BIAdb Deacetylthiocolchicine chlorhydrate 1997
Systematic (IUPAC) name
(7S)-7-amino-1,2,3-trimethoxy-10-methylsulfanyl-6,7-dihydro-5H-benzo[g]heptalen-9-one hydrochloride
Identifiers
CAS number	?
ATC code	?
PubChem	84047
Chemical data
Formula	C20H24ClNO4S
Mol. mass	409.92686
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

Unknown

General Properties

*Molecular Weight

409.92686

*Exact Mass

409.111457

*Molecular Formula

C₂₀H₂₄ClNO₄S

*IUPAC NAME

(7S)-7-amino-1,2,3-trimethoxy-10-methylsulfanyl-6,7-dihydro-5H-benzo[g]heptalen-9-one hydrochloride

*Canonical Smiles

COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)N)OC)OC.Cl

*Isomeric Smiles

COC1=C(C(=C2C(=C1)CC[C@@H](C3=CC(=O)C(=CC=C32)SC)N)OC)OC.Cl

*XLogP

N/A

*Hydrogen bond donor

2

*Hydrogen bond acceptor

5

*Rotational Bond Count

4

*Topological Polar Surface Area

70.8

External Links

• Pubchem

Link to BIAdb Database