(6R,7R)-3-[[4-[bis(2-chloroethyl)amino]phenyl]carbamoyloxymethyl]-7-(4-carboxybutanoylamino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
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![(6R,7R)-3-[[4-[bis(2-chloroethyl)amino]phenyl]carbamoyloxymethyl]-7-(4-carboxybutanoylamino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/30d0ab36c28c4d65a00da5d78bc2274b.png "(6R,7R)-3-[[4-[bis(2-chloroethyl)amino]phenyl]carbamoyloxymethyl]-7-(4-carboxybutanoylamino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid")
(6R,7R)-3-[[4-[bis(2-chloroethyl)amino]phenyl]carbamoyloxymethyl]-7-(4-carboxybutanoylamino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
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CAS No:
142478-50-0
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Formula:
C24H28Cl2N4O8S
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Chemical Name:
(6R,7R)-3-[[4-[bis(2-chloroethyl)amino]phenyl]carbamoyloxymethyl]-7-(4-carboxybutanoylamino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
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Synonyms:
7-(4-carboxybutanamido)cephalosporin mustard;7-CBNCEPH mustard;7-Cbnceph mustard;142478-50-0;7-(4-Carboxybutanamido)cephalosporin mustard;CHEMBL433366;DTXSID60931487;(6R-trans)-3-(((((4-(Bis(2-chloroethyl)amino)phenyl)amino)carbonyl)oxy)methyl)-7-((4-carboxy-1-oxobutyl)amino)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid;3-(((((4-(Bis(2-chloroethyl)amino)phenyl)amino)carbonyl)oxy)methyl)-7-((4-carboxy-1-oxobutyl)amino)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid (6R-trans)-;(6R,7R)-3-[[4-[bis(2-chloroethyl)amino]phenyl]carbamoyloxymethyl]-7-(4-carboxybutanoylamino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;(7R)-3-[[[4-[Bis(2-chloroethyl)amino]anilino]carbonyloxy]methyl]-7-[(4-carboxybutyryl)amino]cepham-3-ene-4-carboxylic acid;3-{[({4-[Bis(2-chloroethyl)amino]phenyl}carbamoyl)oxy]methyl}-7-[(4-carboxy-1-hydroxybutylidene)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-(((((4-(bis(2-chloroethyl)amino)phenyl)amino)carbonyl)oxy)methyl)-7-((4-carboxy-1-oxobutyl)amino)-8-oxo-, (6R-trans)-
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CAS No:
(6R,7R)-3-[[4-[bis(2-chloroethyl)amino]phenyl]carbamoyloxymethyl]-7-(4-carboxybutanoylamino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Basic Attributes
603.5 g/mol
602.1004904 g/mol
Computed Properties
Molecular Weight:603.5
XLogP3:1
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:15
Exact Mass:602.1004904
Monoisotopic Mass:602.1004904
Topological Polar Surface Area:191
Heavy Atom Count:39
Complexity:970
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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