Name: Bilirubin Conjugate (sodium salt)
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT214320895
Cas No:68683-34-1
常用名:Bilirubin Conjugate (sodium salt)
常用名:Bilirubin Conjugate (sodium salt)
IUPAC:2-(3-{5-[(4-ethenyl-3-methyl-2-oxo-2H-pyrrol-5-yl)methylidene]-2-({5-[(4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-ylidene)methyl]-4-methyl-3-{2-[(2-sulfoethyl)carbamoyl]ethyl}-1H-pyrrol-2-yl}methyl)-4-methyl-2,5-dihydro-1H-pyrrol-3-yl}propanamido)ethane-1-sulfonic acid disodium
IUPAC:2-(3-{5-[(4-ethenyl-3-methyl-2-oxo-2H-pyrrol-5-yl)methylidene]-2-({5-[(4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-ylidene)methyl]-4-methyl-3-{2-[(2-sulfoethyl)carbamoyl]ethyl}-1H-pyrrol-2-yl}methyl)-4-methyl-2,5-dihydro-1H-pyrrol-3-yl}propanamido)ethane-1-sulfonic acid disodium
InChI key:VILSOAZZHGPAHN-UHFFFAOYSA-N

分子式:C37H46N6Na2O10S2
分子量:844.91
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[Na].[Na].CC1=C(CCC(=O)NCCS(O)(=O)=O)C(Cc2[nH]c(C=C3NC(=O)C(C=C)=C3C)c(C)c2CCC(=O)NCCS(O)(=O)=O)NC1=CC1=NC(=O)C(C)=C1C=C |w:47.48,21.18,c:1,26,54,t:49|jcExt:v:0:0,1:0
SMILES:[Na].[Na].CC1=C(CCC(=O)NCCS(O)(=O)=O)C(Cc2[nH]c(C=C3NC(=O)C(C=C)=C3C)c(C)c2CCC(=O)NCCS(O)(=O)=O)NC1=CC1=NC(=O)C(C)=C1C=C |w:47.48,21.18,c:1,26,54,t:49|jcExt:v:0:0,1:0

Bilirubin conjugate is a stable, water-soluble ditaurate derivative of bilirubin meant to mimic endogenous bilirubin glucuronide derivatives.

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