U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C27H18N4O9S2.2Na
Molecular Weight 652.563
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of CHOCOLATE BROWN HT

SMILES

[Na+].[Na+].OCC1=C(O)C(\N=N\C2=C3C=CC=CC3=C(C=C2)S([O-])(=O)=O)=C(O)C(=C1)\N=N\C4=CC=C(C5=C4C=CC=C5)S([O-])(=O)=O

InChI

InChIKey=BIRIBMFCDVVRKL-DBHLKOEUSA-L
InChI=1S/C27H20N4O9S2.2Na/c32-14-15-13-22(30-28-20-9-11-23(41(35,36)37)18-7-3-1-5-16(18)20)27(34)25(26(15)33)31-29-21-10-12-24(42(38,39)40)19-8-4-2-6-17(19)21;;/h1-13,32-34H,14H2,(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2/b30-28+,31-29+;;

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C27H18N4O9S2
Molecular Weight 606.583
Charge -2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 2
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:57:33 GMT 2023
Edited
by admin
on Fri Dec 15 18:57:33 GMT 2023
Record UNII
067L3J47ID
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CHOCOLATE BROWN HT
Common Name English
CI (1975) NO. 20285
Common Name English
INS-155
Common Name English
C.I. FOOD BROWN 3
Common Name English
1-NAPHTHALENESULFONIC ACID, 4,4'-((2,4-DIHYDROXY-5-(HYDROXYMETHYL)-1,3-PHENYLENE)BIS(2,1-DIAZENEDIYL))BIS-, SODIUM SALT (1:2)
Common Name English
CERTICOL BROWN N
Brand Name English
C.I. 20285
Common Name English
E-155
Common Name English
CI 20285
Common Name English
CERTICOL BROWN RS
Brand Name English
CHOCOLATE BROWN HT CI 20285
Common Name English
INS NO.155
Common Name English
EDICOL BROWN HT
Brand Name English
1-NAPHTHALENESULFONIC ACID, 4,4'-((2,4-DIHYDROXY-5-(HYDROXYMETHYL)-1,3-PHENYLENE)BIS(AZO))BIS-, DISODIUM SALT
Common Name English
Classification Tree Code System Code
CODEX ALIMENTARIUS (GSFA) INS-155
Created by admin on Fri Dec 15 18:57:33 GMT 2023 , Edited by admin on Fri Dec 15 18:57:33 GMT 2023
JECFA EVALUATION INS-155
Created by admin on Fri Dec 15 18:57:33 GMT 2023 , Edited by admin on Fri Dec 15 18:57:33 GMT 2023
Code System Code Type Description
SMS_ID
100000115561
Created by admin on Fri Dec 15 18:57:33 GMT 2023 , Edited by admin on Fri Dec 15 18:57:33 GMT 2023
PRIMARY
WIKIPEDIA
Chocolate brown HT
Created by admin on Fri Dec 15 18:57:33 GMT 2023 , Edited by admin on Fri Dec 15 18:57:33 GMT 2023
PRIMARY
ECHA (EC/EINECS)
224-924-0
Created by admin on Fri Dec 15 18:57:33 GMT 2023 , Edited by admin on Fri Dec 15 18:57:33 GMT 2023
PRIMARY
CAS
4553-89-3
Created by admin on Fri Dec 15 18:57:33 GMT 2023 , Edited by admin on Fri Dec 15 18:57:33 GMT 2023
PRIMARY
FDA UNII
067L3J47ID
Created by admin on Fri Dec 15 18:57:33 GMT 2023 , Edited by admin on Fri Dec 15 18:57:33 GMT 2023
PRIMARY
EPA CompTox
DTXSID9020324
Created by admin on Fri Dec 15 18:57:33 GMT 2023 , Edited by admin on Fri Dec 15 18:57:33 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE