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Details

Stereochemistry ACHIRAL
Molecular Formula C21H26N3O2.CH3O4S
Molecular Weight 463.547
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HC BLUE NO. 17

SMILES

COS([O-])(=O)=O.CC1=CC(NCCC[N+](C)(C)C)=C2C(=O)C3=CC=CC=C3C(=O)C2=C1N

InChI

InChIKey=DXNBFDTUGLSSOR-UHFFFAOYSA-N
InChI=1S/C21H25N3O2.CH4O4S/c1-13-12-16(23-10-7-11-24(2,3)4)17-18(19(13)22)21(26)15-9-6-5-8-14(15)20(17)25;1-5-6(2,3)4/h5-6,8-9,12H,7,10-11H2,1-4H3,(H2-,22,23,25,26);1H3,(H,2,3,4)

HIDE SMILES / InChI

Molecular Formula C21H26N3O2
Molecular Weight 352.45
Charge 1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula CH3O4S
Molecular Weight 111.097
Charge -1
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 Sat Dec 16 20:17:24 GMT 2023
Edited
by admin
on Sat Dec 16 20:17:24 GMT 2023
Record UNII
8432OLU48W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HC BLUE NO. 17
INCI  
INCI  
Official Name English
HC BLUE NO. 17 [INCI]
Common Name English
CATIONIC BLUE 0347 LIQUID
Brand Name English
1-PROPANAMINIUM, 3-((4-AMINO-9,10-DIHYDRO-3-METHYL-9,10-DIOXO-1-ANTHRACENYL)AMINO)-N,N,N-TRIMETHYL-, METHYL SULFATE (1:1)
Common Name English
AMMONIUM, (3-((4-AMINO-3-METHYL-1-ANTHRAQUINONYL)AMINO)PROPYL)TRIMETHYL-, METHYL SULFATE
Common Name English
Code System Code Type Description
PUBCHEM
71587004
Created by admin on Sat Dec 16 20:17:25 GMT 2023 , Edited by admin on Sat Dec 16 20:17:25 GMT 2023
PRIMARY
CAS
16517-75-2
Created by admin on Sat Dec 16 20:17:25 GMT 2023 , Edited by admin on Sat Dec 16 20:17:25 GMT 2023
PRIMARY
EPA CompTox
DTXSID70167851
Created by admin on Sat Dec 16 20:17:25 GMT 2023 , Edited by admin on Sat Dec 16 20:17:25 GMT 2023
PRIMARY
FDA UNII
8432OLU48W
Created by admin on Sat Dec 16 20:17:25 GMT 2023 , Edited by admin on Sat Dec 16 20:17:25 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE