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Home> Hot Product Listed P   > Pentanoic acid,5-[[[3-(aminosulfonyl)-4-chlorophenyl]sulfonyl]methylamino]-4-hydroxy-4-methyl-
55589-62-3 structure

Pentanoic acid,5-[[[3-(aminosulfonyl)-4-chlorophenyl]sulfonyl]methylamino]-4-hydroxy-4-methyl-

Iupac Name:potassium;6-methyl-2,2-dioxo-1-oxa-2$l^{6}-thia-3-azanidacyclohex-5-en-4-one
CAS No.:55589-62-3
Molecular Weight:201.237
Molecular Formula:C20H16BRCL2FN2O4S (isomer)
Names and Identifiers
Synonyms

4-Chloro-N1-methyl-N1-(4-carboxy-2-hydroxy-2-methylbutyl)-m-benzenedisulfonamide 5-oxomefruside OR223272 pentanoic acid 5-(((3-(aminosulfonyl)-4-chlorophenyl)sulfonyl)methylamino)-4-hydroxy-4-methyl- pentanoic acid, 5-(((3-(aminosulfonyl)-4-chlorophenyl)sulfonyl)methylamino)-4-hydroxy-4-methyl- Valericacid, 5-(4-chloro-N-methyl-3-sulfamoylbenzenesulfonamido)-4-hydroxy-4-methyl-(8CI)

Inchi
InChI=1S/C4H5NO4S.K/c1-3-2-4(6)5-10(7,8)9-3;/h2H,1H3,(H,5,6);/q;+1/p-1
InChkey
WBZFUFAFFUEMEI-UHFFFAOYSA-M
Canonical Smiles
CC1=CC(=O)[N-]S(=O)(=O)O1.[K+]
Properties
Melting Point
229-232℃ (dec.)
Flash Point
118°C
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S26
Transport
25kgs
Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
FULL JOINT 1000_10000 view >
Registered companies:
Registrant / Supplier details Latest dossier received
Celanese Production Germany GmbH & Co. KG 2013
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:201.237g/mol
  • Molecular Formula:C20H16BRCL2FN2O4S
  • Compound Is Canonicalized:True
  • Exact Mass:200.95
  • Monoisotopic Mass:200.95
  • Complexity:288
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:69.8A^2
  • Heavy Atom Count:11
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADcYBiOABAQAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAHgAAQAAACASBgAACAAAAAACI ACFSEDCAAAAAIAAACAAAAEAAAAAAAQAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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