2,5-Dioxo-3-sulfo-1-pyrrolidinyl 6-[[1-oxo-3-(2-pyridinyldithio)propyl]amino]hexanoate sodium salt (1:1)
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![2,5-Dioxo-3-sulfo-1-pyrrolidinyl 6-[[1-oxo-3-(2-pyridinyldithio)propyl]amino]hexanoate sodium salt (1:1) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/312ab5f0ad8e4adda85f9a6af5269b7a.png "2,5-Dioxo-3-sulfo-1-pyrrolidinyl 6-[[1-oxo-3-(2-pyridinyldithio)propyl]amino]hexanoate sodium salt (1:1)")
2,5-Dioxo-3-sulfo-1-pyrrolidinyl 6-[[1-oxo-3-(2-pyridinyldithio)propyl]amino]hexanoate sodium salt (1:1)
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CAS No:
169751-10-4
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Formula:
C18H23N3O8S3.Na
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Chemical Name:
2,5-Dioxo-3-sulfo-1-pyrrolidinyl 6-[[1-oxo-3-(2-pyridinyldithio)propyl]amino]hexanoate sodium salt (1:1)
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Synonyms:
Hexanoic acid,6-[[1-oxo-3-(2-pyridinyldithio)propyl]amino]-,2,5-dioxo-3-sulfo-1-pyrrolidinyl ester,sodium salt (1:1);3-Pyrrolidinesulfonic acid,2,5-dioxo-1-[[1-oxo-6-[[1-oxo-3-(2-pyridinyldithio)propyl]amino]hexyl]oxy]-,monosodium salt;2,5-Dioxo-3-sulfo-1-pyrrolidinyl 6-[[1-oxo-3-(2-pyridinyldithio)propyl]amino]hexanoate sodium salt (1:1);Sulfo-LC-SPDP;Sulfo-AC5-SPDP
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CAS No:
2,5-Dioxo-3-sulfo-1-pyrrolidinyl 6-[[1-oxo-3-(2-pyridinyldithio)propyl]amino]hexanoate sodium salt (1:1) Basic Attributes
527.56700
527.04667247
DTXSID00404589
Safety Information
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:527.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:14
Exact Mass:527.04667247
Monoisotopic Mass:527.04667247
Topological Polar Surface Area:222
Heavy Atom Count:33
Complexity:793
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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