1-Amino-4-[[3,5-bis[[(2-chloroacetyl)amino]methyl]-2,4,6-trimethylphenyl]amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid

CAS Registry Number®

94159-06-5

CAS Name

1-Amino-4-[[3,5-bis[[(2-chloroacetyl)amino]methyl]-2,4,6-trimethylphenyl]amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid

Molecular Formula

C29H28Cl2N4O7S

Molecular Mass

647.53

Cite this Page

1-Amino-4-[[3,5-bis[[(2-chloroacetyl)amino]methyl]-2,4,6-trimethylphenyl]amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=94159-06-5 (retrieved 2025-05-15) (CAS RN: 94159-06-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C29H28Cl2N4O7S/c1-13-18(11-33-22(36)9-30)14(2)27(15(3)19(13)12-34-23(37)10-31)35-20-8-21(43(40,41)42)26(32)25-24(20)28(38)16-6-4-5-7-17(16)29(25)39/h4-8,35H,9-12,32H2,1-3H3,(H,33,36)(H,34,37)(H,40,41,42)

InChIKey

InChIKey=JCMYEBPPMIUWCN-UHFFFAOYSA-N

SMILES

N(C1=C2C(C(=O)C=3C(C2=O)=CC=CC3)=C(N)C(S(=O)(=O)O)=C1)C4=C(C)C(CNC(CCl)=O)=C(C)C(CNC(CCl)=O)=C4C

Canonical SMILES

O=C1C=2C=CC=CC2C(=O)C3=C(N)C(=CC(NC=4C(=C(C(=C(C4C)CNC(=O)CCl)C)CNC(=O)CCl)C)=C13)S(=O)(=O)O

Other Names for this Substance

  • 2-Anthracenesulfonic acid, 1-amino-4-[[3,5-bis[[(2-chloroacetyl)amino]methyl]-2,4,6-trimethylphenyl]amino]-9,10-dihydro-9,10-dioxo-
  • 2-Anthracenesulfonic acid, 1-amino-4-[[3,5-bis[[(chloroacetyl)amino]methyl]-2,4,6-trimethylphenyl]amino]-9,10-dihydro-9,10-dioxo-
  • 1-Amino-4-[[3,5-bis[[(2-chloroacetyl)amino]methyl]-2,4,6-trimethylphenyl]amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid

CAS INSIGHTSTM
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