1-AMINO-4-(3,5-BIS(((2-CHLOROACETYL)AMINO)METHYL)-2,4,6-TRIMETHYLANILINO)-9,10-DIOXOANTHRACENE-2-SULFONIC ACID

Details

Stereochemistry	ACHIRAL
Molecular Formula	C29H28Cl2N4O7S
Molecular Weight	647.526
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-AMINO-4-(3,5-BIS(((2-CHLOROACETYL)AMINO)METHYL)-2,4,6-TRIMETHYLANILINO)-9,10-DIOXOANTHRACENE-2-SULFONIC ACID

Structure Search

SMILES

CC1=C(CNC(=O)CCl)C(C)=C(NC2=C3C(=O)C4=C(C=CC=C4)C(=O)C3=C(N)C(=C2)S(O)(=O)=O)C(C)=C1CNC(=O)CCl

InChI

InChIKey=JCMYEBPPMIUWCN-UHFFFAOYSA-N

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)

HIDE SMILES / InChI

Molecular Formula	C29H28Cl2N4O7S
Molecular Weight	647.526
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 19:10:04 GMT 2025` Edited by `admin` on `Tue Apr 01 19:10:04 GMT 2025`
Record UNII	VW2Q4Z2GQU
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

1-AMINO-4-(3,5-BIS(((2-CHLOROACETYL)AMINO)METHYL)-2,4,6-TRIMETHYLANILINO)-9,10-DIOXOANTHRACENE-2-SULFONIC ACID

Systematic Name

English

1-AMINO-4-((3,5-BIS(((CHLOROACETYL)AMINO)METHYL)-2,4,6-TRIMETHYLPHENYL)AMINO)-9,10-DIHYDRO-9,10-DIOXOANTHRACENE-2-SULFONIC ACID

Preferred Name

English

2-ANTHRACENESULFONIC ACID, 1-AMINO-4-((3,5-BIS(((2-CHLOROACETYL)AMINO)METHYL)-2,4,6-TRIMETHYLPHENYL)AMINO)-9,10-DIHYDRO-9,10-DIOXO-

Systematic Name

English

1-AMINO-4-((3,5-BIS(((2-CHLOROACETYL)AMINO)METHYL)-2,4,6-TRIMETHYLPHENYL)AMINO)-9,10-DIHYDRO-9,10-DIOXO-2-ANTHRACENESULFONIC ACID

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

303-181-7