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Substance Name: 1-Amino-4-((3-((hexahydro-2-oxo-1H-azepin-1-yl)methyl)-4-methoxyphenyl)amino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid
RN: 31949-65-2
InChIKey: CUNBYQPKMZMTFZ-UHFFFAOYSA-N

Molecular Formula

  • C28-H27-N3-O7-S

Molecular Weight

  • 549.6013
 
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Names and Synonyms

Synonym

  • EINECS 250-871-8

Systematic Name

  • 1-Amino-4-((3-((hexahydro-2-oxo-1H-azepin-1-yl)methyl)-4-methoxyphenyl)amino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid

Registry Numbers

CAS Registry Number

  • 31949-65-2

System Generated Number

  • 0031949652

Structure Descriptors

InChI

1S/C28H27N3O7S/c1-38-21-11-10-17(13-16(21)15-31-12-6-2-3-9-23(31)32)30-20-14-22(39(35,36)37)26(29)25-24(20)27(33)18-7-4-5-8-19(18)28(25)34/h4-5,7-8,10-11,13-14,30H,2-3,6,9,12,15,29H2,1H3,(H,35,36,37)

InChIKey

CUNBYQPKMZMTFZ-UHFFFAOYSA-N

Smiles

c12c(C(=O)c3c(C1=O)cccc3)c(cc(S(=O)(=O)O)c2N)Nc1cc(CN2C(=O)CCCCC2)c(cc1)OC