Name: Lumirubin
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214319817
Cas No:83664-21-5
常用名:Lumirubin
IUPAC:3-(2-{[6-(2-carboxyethyl)-7,11-dimethyl-12-oxo-4,13-diazatricyclo[8.3.0.0^{3,7}]trideca-1,3,5,9-tetraen-5-yl]methyl}-5-[(4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl)propanoic acid
IUPAC:3-(2-{[6-(2-carboxyethyl)-7,11-dimethyl-12-oxo-4,13-diazatricyclo[8.3.0.0^{3,7}]trideca-1,3,5,9-tetraen-5-yl]methyl}-5-[(4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl)propanoic acid
InChI key:BYVDUQYJIIPFIB-UHFFFAOYSA-N

分子式:C33H36N4O6
分子量:584.673
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC1C(=O)NC2=CC3=NC(Cc4[nH]c(C=C5NC(=O)C(C=C)=C5C)c(C)c4CCC(O)=O)=C(CCC(O)=O)C3(C)CC=C12 |w:14.13,c:21,t:5,7,33,44|
SMILES:CC1C(=O)NC2=CC3=NC(Cc4[nH]c(C=C5NC(=O)C(C=C)=C5C)c(C)c4CCC(O)=O)=C(CCC(O)=O)C3(C)CC=C12 |w:14.13,c:21,t:5,7,33,44|

Lumirubin is a water-soluble photoproduct of bilirubin formed in vivo during phototherapy.

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