General Information of DIG (ID: E0SG3E)
DIG Name
Pigment red 5
Synonyms    Click to Show/Hide the Synonyms of This DIG
Pigment red 5; C.I. Pigment Red 5; 6410-41-9; UNII-91OZU993LX; 91OZU993LX; C30H31ClN4O7S; 2-Naphthalenecarboxamide, N-(5-chloro-2,4-dimethoxyphenyl)-4-(2-(5-((diethylamino)sulfonyl)-2-methoxyphenyl)diazenyl)-3-hydroxy-; 2-Naphthalenecarboxamide, N-(5-chloro-2,4-dimethoxyphenyl)-4-[2-[5-[(diethylamino)sulfonyl]-2-methoxyphenyl]diazenyl]-3-hydroxy-; EINECS 229-107-2; CI 12490; EC 229-107-2; SCHEMBL342157; SCHEMBL6840821; DTXSID0050394; SCHEMBL12960407; ZINC100042115; (4E)-N-(5-chloro-2,4-dimethoxyphenyl)-4-[[5-(diethylsulfamoyl)-2-methoxyphenyl]hydrazinylidene]-3-oxonaphthalene-2-carboxamide; 2-Naphthalenecarboxamide, N-(5-chloro-2,4-dimethoxyphenyl)-4-((5-((diethylamino)sulfonyl)-2-methoxyphenyl)azo)-3-hydroxy-; L728; N-(5-Chloro-2,4-dimethoxyphenyl)-4-((5-((diethylamino)sulfonyl)-2- -methoxyphenyl)azo)-3-hydroxy-2-naphthalenecarboxamide; C.I.12490; 410P419; W-110141; Q27271416; 2-Naphthalenecarboxamide, N-(5-chloro-2,4-dimethoxyphenyl)-4-((5-((diethylamino)sulfonyl)-2- -methoxyphenyl)azo)-3-hydroxy-; N-(5-Chloro-2,4-dimethoxyphenyl)-4-((5-((diethylamino)sulphonyl)-2-methoxyphenyl)azo)-3-hydroxynaphthalene-2-carboxamide; N-(5-chloro-2,4-dimethoxyphenyl)-4-[(E)-[5-(diethylsulfamoyl)-2-methoxyphenyl]diazenyl]-3-hydroxynaphthalene-2-carboxamide; N-(5-chloro-2,4-dimethoxyphenyl)-4-[[5-(diethylsulfamoyl)-2-methoxyphenyl]diazenyl]-3-hydroxynaphthalene-2-carboxamide
DIG Function
Colorant
PubChem CID
82169
Formula
C30H31ClN4O7S
Canonical SMILES
CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)N=NC2=C(C(=CC3=CC=CC=C32)C(=O)NC4=CC(=C(C=C4OC)OC)Cl)O
InChI
1S/C30H31ClN4O7S/c1-6-35(7-2)43(38,39)19-12-13-25(40-3)24(15-19)33-34-28-20-11-9-8-10-18(20)14-21(29(28)36)30(37)32-23-16-22(31)26(41-4)17-27(23)42-5/h8-17,36H,6-7H2,1-5H3,(H,32,37)
InChIKey
LMULDSDQRQVZMW-UHFFFAOYSA-N
   Click to Show/Hide the Molecular Data (Structure/Property) of This DIG
Structure
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=82169"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 627.1 Topological Polar Surface Area 148
XlogP 6.4 Complexity 1040
Heavy Atom Count 43 Rotatable Bond Count 11
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 10
Full List of Active Pharmaceutical Ingredients (APIs) Co-administrated with This DIG
       ICD Disease Classification 01 Infectious/parasitic disease Click to Show/Hide
Azithromycin
API Info
Congenital syphilis [ICD-11: 1A60]
[1]
       ICD Disease Classification 06 Mental/behavioural/neurodevelopmental disorder Click to Show/Hide
Paroxetine
API Info
Major depressive disorder [ICD-11: 6A70]
[2]
       ICD Disease Classification 15 Musculoskeletal/connective-tissue disease Click to Show/Hide
Meloxicam
API Info
Rheumatoid arthritis [ICD-11: FA20]
[3]
References
1 FDA label for approved azithromycin from the official website of the U.S. Food and Drug Administration.
2 FDA label for approved paroxetine from the official website of the U.S. Food and Drug Administration.
3 FDA label for approved meloxicam from the official website of the U.S. Food and Drug Administration.

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