CI-501 Pamoate

Base Information

• Chemical Name: CI-501 Pamoate
• CAS No.: 609-78-9
• Molecular Formula: C34H30ClN5O6
• Molecular Weight: 891.80026
• NSC Number: 77830
• DSSTox Substance ID: DTXSID40209737
• ChEMBL ID: CHEMBL588912
• Mol file: 609-78-9.mol

Synonyms:TCMDC-125837;CI 501;C.I.-501;CI-501 Pamoate;SCHEMBL537631;CHEMBL588912;WLN: Q B- 2;DTXSID40209737;NSC77830;C23H16O6.C11H14ClN5;LS-95384;NCI60_041716;4,2-dihydro-2,2-dimethyl-s-triazine pamoate;4,2-dihydro-2,2-dimethyl-s-triazine compound (2:1) with 4,4'-methylenebis[3-hydroxy-2-naphthoic acid;WLN: L66J CQ DVQ B- 21 &621 T6N CN EN BHJ AR DG& B B DZ FZ & 2 &622 L66J CQ DV

Chemical Property of CI-501 Pamoate

Chemical Property:

• Vapor Pressure: 2.13E-17mmHg at 25°C
• Melting Point: 231-234°
• Boiling Point: 642.7°C at 760 mmHg
• Flash Point: 356.5°C
• PSA: 195.06000
• LogP: 6.25370
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 639.1884614
• Heavy Atom Count: 46
• Complexity: 923

Purity/Quality:

99% ^*data from raw suppliers

CYCLOGUANILEMBONATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(N=C(N=C(N1C2=CC=C(C=C2)Cl)N)N)C.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O
• Uses: Antimalarial.