DP-b99
2-[2-[2-[2-[carboxymethyl-[2-(2-octoxyethoxy)-2-oxoethyl]amino]phenoxy]ethoxy]-N-[2-(2-octoxyethoxy)-2-oxoethyl]anilino]acetic acid
Molecular Identity
DP-b99
2-[2-[2-[2-[carboxymethyl-[2-(2-octoxyethoxy)-2-oxoethyl]amino]phenoxy]ethoxy]-N-[2-(2-octoxyethoxy)-2-oxoethyl]anilino]acetic acid
PubChem CID: 9810955
2D Structure
Properties
C42H64N2O12
Molecular Formula
789.00
Molecular Weight
g/mol
788.4459
Exact Mass
Da
9.4
XLogP
Above Lipinski threshold
171
TPSA
May have limited oral absorption
2
H-Bond Donors
14
H-Bond Acceptors
969
Complexity
SMILES
Canonical SMILES
SMILES: CCCCCCCCOCCOC(=O)CN(CC(=O)O)C1=CC=CC=C1OCCOC2=CC=CC=C2N(CC(=O)O)CC(=O)OCCOCCCCCCCCIsomeric SMILES
SMILES: CCCCCCCCOCCOC(=O)CN(CC(=O)O)C1=CC=CC=C1OCCOC2=CC=CC=C2N(CC(=O)O)CC(=O)OCCOCCCCCCCCSynonyms(20)
DP-b99343340-21-6RefChem:590421222315-88-0DP-b 99DP-b-99DP-B99 free acidDP-B-99 free acidDP-B 99 Free acidTDX7IXK9CUDp-bapta-99 free acidUNII-TDX7IXK9CU2,2'-(((ethane-1,2-diylbis(oxy))bis(2,1-phenylene))bis((2-(2-(octyloxy)ethoxy)-2-oxoethyl)azanediyl))diacetic acidN,N'-[1,2-Ethanediylbis(oxy-2,1-phenylene)]bis[N-(carboxymethyl)glycine 1,1'-bis[2-(octyloxy)ethyl] ester2-[2-[2-[2-[carboxymethyl-[2-(2-octoxyethoxy)-2-oxoethyl]amino]phenoxy]ethoxy]-N-[2-(2-octoxyethoxy)-2-oxoethyl]anilino]acetic acid
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to DP-b99
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