Ukrain

From DrugPedia: A Wikipedia for Drug discovery

Ukrain
Systematic (IUPAC) name
N/A
Identifiers
CAS number	?
ATC code	?
PubChem	6918247
Chemical data
Formula	C₆₆H₈₁Cl₆N₆O₁₈PS
Mol. mass	1522.135501
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

semisynthetic product from alkaloids of Chelidonium majus L. and thiophosphoric triaciridide acid

Differential effects of Ukrain in modulating radiation toxicity of human cancer cell lines and its protective effect in normal human fibroblasts suggest that this alkaloid may have potential properties for clinical radiochemotherapy.

Ukrain(TM) has been described as a semisynthetic Chelidonium majus alkaloid derivative, which exhibits selective toxicity towards malignant cells only.

[edit] General Properties

*Molecular Weight

1522.135501

*Molecular Formula

C₆₆H₈₁Cl₆N₆O₁₈PS

*IUPAC NAME

N/A

*Canonical Smiles

C[N+]1(CC2=C(C=CC3=C2OCO3)C4C1C5=CC6=C(C=C5CC4O)OCO6)CCNP(=S)(NCC[N+]7(CC8=C(C=CC9=C8OCO9)C1C7C2=CC3=C(C=C2CC1O)OCO3)C)NCC[N+]1(CC2=C(C=CC3=C2OCO3)C2C1C1=CC3=C(C=C1CC2O)OCO3)C.[OH-].[OH-].[OH-].Cl.Cl.Cl.Cl.Cl.Cl

*Isomeric Smiles

C[N+]1(CC2=C(C=CC3=C2OCO3)[C@@H]4[C@H]1C5=CC6=C(C=C5C[C@@H]4O)OCO6)CCNP(=S)(NCC[N+]7(CC8=C(C=CC9=C8OCO9)[C@@H]1[C@H]7C2=CC3=C(C=C2C[C@@H]1O)OCO3)C)NCC[N+]1(CC2=C(C=CC3=C2OCO3)[C@@H]2[C@H]1C1=CC3=C(C=C1C[C@@H]2O)OCO3)C.[OH-].[OH-].[OH-].Cl.Cl.Cl.Cl.Cl.Cl

*XLogP

N/A

*Topological Polar Surface Area

211