Mln1202
disodium;5-[[4,6-bis[3-[bis(2-amino-2-oxoethyl)sulfamoyl]anilino]-1,3,5-triazin-2-yl]amino]-2-[4-[[4,6-bis[3-[bis(2-amino-2-oxoethyl)sulfamoyl]anilino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]benzenesulfonate
Molecular Identity
Mln1202
disodium;5-[[4,6-bis[3-[bis(2-amino-2-oxoethyl)sulfamoyl]anilino]-1,3,5-triazin-2-yl]amino]-2-[4-[[4,6-bis[3-[bis(2-amino-2-oxoethyl)sulfamoyl]anilino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]benzenesulfonate
PubChem CID: 16156223
2D Structure
Properties
C58H60N24Na2O22S6
Molecular Formula
1683.60
Molecular Weight
g/mol
1682.2434
Exact Mass
Da
808
TPSA
May have limited oral absorption
14
H-Bond Donors
38
H-Bond Acceptors
3450
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC(=CC(=C1)S(=O)(=O)N(CC(=O)N)CC(=O)N)NC2=NC(=NC(=N2)NC3=CC(=C(C=C3)C4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC(=CC=C6)S(=O)(=O)N(CC(=O)N)CC(=O)N)NC7=CC(=CC=C7)S(=O)(=O)N(CC(=O)N)CC(=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-])NC8=CC(=CC=C8)S(=O)(=O)N(CC(=O)N)CC(=O)N.[Na+].[Na+]Isomeric SMILES
SMILES: C1=CC(=CC(=C1)S(=O)(=O)N(CC(=O)N)CC(=O)N)NC2=NC(=NC(=N2)NC3=CC(=C(C=C3)C4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC(=CC=C6)S(=O)(=O)N(CC(=O)N)CC(=O)N)NC7=CC(=CC=C7)S(=O)(=O)N(CC(=O)N)CC(=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-])NC8=CC(=CC=C8)S(=O)(=O)N(CC(=O)N)CC(=O)N.[Na+].[Na+]Synonyms(18)
MLN1202RefChem:925993RFI-641UNII-FR2W015BG1197366-24-8FR2W015BG1RFI 641disodium;5-[[4,6-bis[3-[bis(2-amino-2-oxoethyl)sulfamoyl]anilino]-1,3,5-triazin-2-yl]amino]-2-[4-[[4,6-bis[3-[bis(2-amino-2-oxoethyl)sulfamoyl]anilino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]benzenesulfonateWAY-154641CHEMBL425633SCHEMBL20741446DTXSID20173422RF-1461DA-77427Q27278144
Data from PubChem (NCBI)
This platform is for informational purposes only and does not constitute medical advice. Always consult a qualified healthcare professional.
Drug Network
Trials and conditions connected to Mln1202
Loading drug network...