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

Details

Stereochemistry ACHIRAL
Molecular Formula 2C17H11N2O3.Ca
Molecular Weight 622.64
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of D&C RED NO. 31

SMILES

[Ca++].OC1=C(C=C2C=CC=CC2=C1\N=N\C3=CC=CC=C3)C([O-])=O.OC4=C(C=C5C=CC=CC5=C4\N=N\C6=CC=CC=C6)C([O-])=O

InChI

InChIKey=CYHOWEBNQPOWEI-VFUQPONKSA-L
InChI=1S/2C17H12N2O3.Ca/c2*20-16-14(17(21)22)10-11-6-4-5-9-13(11)15(16)19-18-12-7-2-1-3-8-12;/h2*1-10,20H,(H,21,22);/q;;+2/p-2/b2*19-18+;

HIDE SMILES / InChI

Molecular Formula C17H11N2O3
Molecular Weight 291.2808
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Molecular Formula Ca
Molecular Weight 40.078
Charge 2
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 Mon Mar 31 18:03:43 GMT 2025
Edited
by admin
on Mon Mar 31 18:03:43 GMT 2025
Record UNII
O63T5PV73P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CI 15800
INCI  
INCI  
Preferred Name English
RED 31
INCI  
INCI  
Preferred Name English
PIGMENT RED 64:1
INCI  
INCI  
Preferred Name English
D&C RED NO. 31
Common Name English
AKA219
INCI  
INCI  
Preferred Name English
3-HYDROXY-4-(PHENYLAZO)-2-NAPHTHALENECARBOXYLIC ACID, CALCIUM SALT(2:1)
Common Name English
2-NAPHTHALENECARBOXYLIC ACID, 3-HYDROXY-4-(2-PHENYLDIAZENYL)-, CALCIUM SALT (2:1)
Common Name English
2-HYDROXY-1-PHENYLAZO-3-NAPHTHOIC ACID, CALCIUM SALT
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C461
Created by admin on Mon Mar 31 18:03:43 GMT 2025 , Edited by admin on Mon Mar 31 18:03:43 GMT 2025
Code System Code Type Description
NCI_THESAURUS
C71662
Created by admin on Mon Mar 31 18:03:43 GMT 2025 , Edited by admin on Mon Mar 31 18:03:43 GMT 2025
PRIMARY
EPA CompTox
DTXSID7064283
Created by admin on Mon Mar 31 18:03:43 GMT 2025 , Edited by admin on Mon Mar 31 18:03:43 GMT 2025
PRIMARY
FDA UNII
O63T5PV73P
Created by admin on Mon Mar 31 18:03:43 GMT 2025 , Edited by admin on Mon Mar 31 18:03:43 GMT 2025
PRIMARY
CAS
6371-76-2
Created by admin on Mon Mar 31 18:03:43 GMT 2025 , Edited by admin on Mon Mar 31 18:03:43 GMT 2025
PRIMARY
ECHA (EC/EINECS)
228-899-7
Created by admin on Mon Mar 31 18:03:43 GMT 2025 , Edited by admin on Mon Mar 31 18:03:43 GMT 2025
PRIMARY