Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1-Amino-4-((4-((3-((2-chloroethyl)sulphonyl)benzoyl)methylamino)-2-sulphophenyl)amino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonicacid
RN: 52204-35-0
InChIKey: QJHFNCUSHWKNEV-UHFFFAOYSA-N

Molecular Formula

  • C30-H24-Cl-N3-O11-S3

Molecular Weight

  • 734.181
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • EINECS 257-734-1

Systematic Name

  • 1-Amino-4-((4-((3-((2-chloroethyl)sulphonyl)benzoyl)methylamino)-2-sulphophenyl)amino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonicacid

Registry Numbers

CAS Registry Number

  • 52204-35-0

System Generated Number

  • 0052204350

Structure Descriptors

InChI

1S/C30H24ClN3O11S3/c1-34(30(37)16-5-4-6-18(13-16)46(38,39)12-11-31)17-9-10-21(23(14-17)47(40,41)42)33-22-15-24(48(43,44)45)27(32)26-25(22)28(35)19-7-2-3-8-20(19)29(26)36/h2-10,13-15,33H,11-12,32H2,1H3,(H,40,41,42)(H,43,44,45)

InChIKey

QJHFNCUSHWKNEV-UHFFFAOYSA-N

Smiles

O=C(N(c1ccc(Nc2c3c(C(=O)c4c(cccc4)C3=O)c(N)c(S(=O)(=O)O)c2)c(S(=O)(=O)O)c1)C)c1cccc(S(=O)(=O)CCCl)c1