Pr 104
2-[N-(2-bromoethyl)-2,4-dinitro-6-(2-phosphonooxyethylcarbamoyl)anilino]ethyl methanesulfonate
Molecular Identity
Pr 104
2-[N-(2-bromoethyl)-2,4-dinitro-6-(2-phosphonooxyethylcarbamoyl)anilino]ethyl methanesulfonate
PubChem CID: 11455973
2D Structure
Properties
C14H20BrN4O12PS
Molecular Formula
579.30
Molecular Weight
g/mol
577.9719
Exact Mass
Da
-0.6
XLogP
Drug-like (Lipinski: < 5)
242
TPSA
May have limited oral absorption
3
H-Bond Donors
13
H-Bond Acceptors
839
Complexity
SMILES
Canonical SMILES
SMILES: CS(=O)(=O)OCCN(CCBr)C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)NCCOP(=O)(O)OIsomeric SMILES
SMILES: CS(=O)(=O)OCCN(CCBr)C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)NCCOP(=O)(O)OSynonyms(20)
PR-104851627-62-8PR 104V16D2ZT7DT((2-BROMOETHYL)-2,4-DINITRO-6-(((2-(PHOSPHONOOXY)ETHYL)AMINO)-CARBONYL)ANILINO)ETHYL METHANESULPHONATERefChem:868364(2-((2-((2-bromoethyl)(2-(methanesulfonyloxy)ethyl)amino)-3,5-dinitrophenyl)formamido)ethoxy)phosphonic acidPR104UNII-V16D2ZT7DT2-((2-Bromoethyl)(2,4-dinitro-6-((2-(phosphonooxy)ethyl)carbamoyl)phenyl)amino)ethyl methanesulfonatePR-104/104A2-[(2-bromoethyl)(2,4-dinitro-6-{[2-(phosphonooxy)ethyl]carbamoyl}phenyl)amino]ethyl methanesulfonate2-[N-(2-bromoethyl)-2,4-dinitro-6-(2-phosphonooxyethylcarbamoyl)anilino]ethyl methanesulfonateBenzamide, 2-((2-bromoethyl)(2-((methylsulfonyl)oxy)ethyl)amino)-3,5- dinitro-N-(2-(phosphonooxy)ethyl)-C14H20BrN4O12PS
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Pr 104
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