4-((2-Chloroethyl)(2-mesyloxyethyl)amino)benzoylglutamic acid
Completing data — refresh the page later to see the latest
Basic information
- CAS
122665-73-0- Standard SMILES
CS(=O)(=O)OCCN(CCCl)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1- InChIKey
QVWYCTGTGHDWFQ-AWEZNQCLSA-N- Molecular formula
- C17H23ClN2O8S
- Average molar mass
- 450.9 g/mol
- Monoisotopic mass
- 450.0863646
Overview
structure in first source
Names & identifiers
- Preferred name
- 4-((2-Chloroethyl)(2-mesyloxyethyl)amino)benzoylglutamic acid
- IUPAC
- (2S)-2-[[4-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]benzoyl]amino]pentanedioic acid
- English name
- CMDA
- Molecular formula
- C17H23ClN2O8S
- Molecular weight
- 450.89
Names & synonyms
CMDA122665-73-04-((2-Chloroethyl)(2-mesyloxyethyl)amino)benzoylglutamic acid4-Cema-benzoyl-glutamic acidDTXSID30153674RefChem:96842DTXCID1076165(S)-2-(4-((2-Chloroethyl)(2-((methylsulfonyl)oxy)ethyl)amino)benzamido)pentanedioic acid(2S)-2-[[4-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]benzoyl]amino]pentanedioic acidCHEMBL12842SCHEMBL887827N-(4-((2-Chloroethyl)(2-((methylsulfonyl)oxy)ethyl)amino)benzoyl)-L-glutamic acid
Show more names
CMDA USP/EP/BP(Diisopropylamino)chloromagnesiumDiisopropylaminomagnesium chloride(Diisopropylamino) magnesium chloride4-[N-(2-Chloroethyl)-N-[2- (Mesyloxy)Ethyl]Amino]Benzoyl-L-Glutamic AcidL-Glutamic acid, N-[4-[(2-chloroethyl)[2-[(methylsulfonyl)oxy]ethyl]amino]benzoyl]-(2S)-2-[[4-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]benzoyl]amino]pentanedioicaci
DB-1896634-[(2-chloroethyl)(2-mesyloxyethyl)amino]benzoyl-l-glutamic acid(S)-2-(4-((2-Chloroethyl)(2-((methylsulfonyl)oxy)ethyl)amino)benzamido)pentanedioicacidL-Glutamic acid, N-(4-((2-chloroethyl)(2-((methylsulfonyl)oxy)ethyl)amino)benzoyl)-N-{4-[(2-Chloroethyl){2-[(methanesulfonyl)oxy]ethyl}amino]benzoyl}-L-glutamic acid
Properties
Computed structural propertiesFilling in
- XLogP
- 0.8
- Topological polar surface area
- 159 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 13
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 659
Physicochemical properties
- Boiling point
- 761.3 · 761.3±60.0 °C(Predicted)
- Density
- 1.446 · 1.446±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.48 · 3.48±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…