NAV

Ukrain cation

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Ukrain cation
DrugBank Accession Number
DB17150
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 1252.36
Monoisotopic: 1251.449753075
Chemical Formula
C66H72N6O15PS
Synonyms
  • (1,3)benzodioxolo(5,6-c)-1,3-dioxolo(4,5-i)phenanthridinium, 13,13',13''-(phosphinothioylidynetris(imino-2,1-ethanediyl))tris(5b,6,7,12b,13,14-hexahydro-6-hydroxy-13-methyl-, (5br,5'br,5''br,6s,6's,6''s,12bs,12'bs,12''bs)-
  • Chelidoninium, 5,5',5''-(phosphinothioylidynetris(imino-2,1-ethanediyl))tris(5-methyl-
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Pharmacology

Indication

Not Available

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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
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Not Available

Interactions

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This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

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Product Ingredients
IngredientUNIICASInChI Key
Ukrain6251Q9UK1S138069-52-0Not applicable

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
53F09PQ5P5
CAS number
732958-87-1
InChI Key
DZWOYVBKCHRHGV-OZLOOOLJSA-N
InChI
InChI=1S/C66H72N6O15PS/c1-70(25-43-37(4-7-49-64(43)85-31-76-49)58-46(73)16-34-19-52-55(82-28-79-52)22-40(34)61(58)70)13-10-67-88(89,68-11-14-71(2)26-44-38(5-8-50-65(44)86-32-77-50)59-47(74)17-35-20-53-56(83-29-80-53)23-41(35)62(59)71)69-12-15-72(3)27-45-39(6-9-51-66(45)87-33-78-51)60-48(75)18-36-21-54-57(84-30-81-54)24-42(36)63(60)72/h4-9,19-24,46-48,58-63,73-75H,10-18,25-33H2,1-3H3,(H3,67,68,69,89)/q+3/t46-,47-,48-,58-,59-,60-,61+,62+,63+,70?,71?,72?,88?/m0/s1
IUPAC Name
(1S,12S,13R)-24-(2-{[bis({2-[(1S,12S,13R)-12-hydroxy-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0^{2,10}.0^{4,8}.0^{14,22}.0^{17,21}]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-24-ium-24-yl]ethyl}amino)(sulfanylidene)-lambda5-phosphanyl]amino}ethyl)-12-hydroxy-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0^{2,10}.0^{4,8}.0^{14,22}.0^{17,21}]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-24-ium
SMILES
[H][C@]12[C@@H](O)CC3=CC4=C(OCO4)C=C3[C@@]1([H])[N+](C)(CCNP(=S)(NCC[N+]1(C)CC3=C(C=CC4=C3OCO4)[C@@]3([H])[C@@H](O)CC4=CC5=C(OCO5)C=C4[C@@]13[H])NCC[N+]1(C)CC3=C(C=CC4=C3OCO4)[C@@]3([H])[C@@H](O)CC4=CC5=C(OCO5)C=C4[C@@]13[H])CC1=C2C=CC2=C1OCO2

References

General References
Not Available
ChemSpider
140683

Clinical Trials

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PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.000883 mg/mLALOGPS
logP1.96ALOGPS
logP-8Chemaxon
logS-6.2ALOGPS
pKa (Strongest Acidic)13.99Chemaxon
pKa (Strongest Basic)-0.46Chemaxon
Physiological Charge3Chemaxon
Hydrogen Acceptor Count18Chemaxon
Hydrogen Donor Count6Chemaxon
Polar Surface Area207.54 Å2Chemaxon
Rotatable Bond Count12Chemaxon
Refractivity362.8 m3·mol-1Chemaxon
Polarizability132.25 Å3Chemaxon
Number of Rings18Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at November 21, 2022 19:25 / Updated at December 13, 2022 10:46