BIAdb Pyrimethamine and Colchicine 3039

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BIAdb Pyrimethamine and Colchicine 3039
Systematic (IUPAC) name
5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine;N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide
Identifiers
CAS number	?
ATC code	?
PubChem	479492
Chemical data
Formula	C₃₄H₃₈ClN₅O₆
Mol. mass	648.14842
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

Description

N/A

Unknown

*Molecular Weight

648.14842

*Exact Mass

647.251062

*Molecular Formula

C₃₄H₃₈ClN₅O₆

*IUPAC NAME

5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine;N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide

*Canonical Smiles

CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl.CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC

*Isomeric Smiles

CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl.CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC

*XLogP

N/A

*Hydrogen bond donor

3

*Hydrogen bond acceptor

10

*Rotational Bond Count

7

*Topological Polar Surface Area

161