Home Amines 3536-49-0
3536-49-0,MFCD00038746
Catalog No.:AA00ILH5

3536-49-0 | Ethanaminium,N-[4-[[4-(diethylamino)phenyl](5-hydroxy-2,4-disulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, inner salt, calcium salt (2:1)

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5g
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25g
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100g
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  • Technical Information
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA00ILH5
Chemical Name:
Ethanaminium,N-[4-[[4-(diethylamino)phenyl](5-hydroxy-2,4-disulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, inner salt, calcium salt (2:1)
CAS Number:
3536-49-0
Molecular Formula:
C54H60CaN4O14S4
Molecular Weight:
1159.4265
MDL Number:
MFCD00038746
SMILES:
CC[N+](=C1C=C/C(=C(\c2cc([O-])c(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/c2ccc(cc2)N(CC)CC)/C=C1)CC.CC[N+](=C1C=C/C(=C(\c2cc([O-])c(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/c2ccc(cc2)N(CC)CC)/C=C1)CC.[Ca+2].[H+].[H+]
Properties
Computed Properties
 
Complexity:
1070  
Covalently-Bonded Unit Count:
3  
Heavy Atom Count:
77  
Hydrogen Bond Acceptor Count:
16  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
14  

Literature

Title: Shin-Yi Chen, et al. Patent Blue V as an Alternative Stain for DMEK Grafts: Safety, Stain Retention, and Feasibility. Cornea. 2019 Oct;38(10):1322-1327.

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Tags:3536-49-0 Molecular Formula|3536-49-0 MDL|3536-49-0 SMILES|3536-49-0 Ethanaminium,N-[4-[[4-(diethylamino)phenyl](5-hydroxy-2,4-disulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, inner salt, calcium salt (2:1)