Cycloguanil embonateProduct ingredient for Cycloguanil
- Name
- Cycloguanil embonate
- Drug Entry
- Cycloguanil
Cycloguanil is the active metabolite of proguanil.
- Accession Number
- DBSALT002873 (DB13562)
- Structure
Structure for Cycloguanil embonate (DBSALT002873)
- Synonyms
- Cycloguanil embonate / Cycloguanil pamoate
- External IDs
- CI-501 / CN-14,329-23A / CN-14329-23A / PAM-MR-807-23A
- UNII
- TCO0SY4N3D
- CAS Number
- 609-78-9
- Weight
- Average: 891.81
Monoisotopic: 890.2822346 - Chemical Formula
- C45H44Cl2N10O6
- InChI Key
- LUNRMKZYOGNOTR-UHFFFAOYSA-N
- InChI
- InChI=1S/C23H16O6.2C11H14ClN5/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;2*1-11(2)16-9(13)15-10(14)17(11)8-5-3-7(12)4-6-8/h1-10,24-25H,11H2,(H,26,27)(H,28,29);2*3-6H,1-2H3,(H4,13,14,15,16)
- IUPAC Name
- bis(1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine); 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid
- SMILES
- CC1(C)N=C(N)N=C(N)N1C1=CC=C(Cl)C=C1.CC1(C)N=C(N)N=C(N)N1C1=CC=C(Cl)C=C1.OC(=O)C1=CC2=CC=CC=C2C(CC2=C3C=CC=CC3=CC(C(O)=O)=C2O)=C1O
- External Links
- KEGG Compound
- C11724
- ChemSpider
- 391612
- ChEMBL
- CHEMBL3989825
- Wikipedia
- Cycloguanil
- Predicted Properties
Property Value Source Water Solubility 0.00418 mg/mL ALOGPS logP 4.58 ALOGPS logP 6.05 Chemaxon logS -5 ALOGPS pKa (Strongest Acidic) 2.38 Chemaxon pKa (Strongest Basic) -6.3 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 115.06 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 107.17 m3·mol-1 Chemaxon Polarizability 38.88 Å3 Chemaxon Number of Rings 8 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon