Bilirubin
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Bilirubin
structure -
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CAS No:
635-65-4
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Formula:
C33H36N4O6
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Chemical Name:
Bilirubin
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Synonyms:
21H-Biline-8,12-dipropanoic acid,2,17-diethenyl-1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-;Biline-8,12-dipropionic acid,1,10,19,22,23,24-hexahydro-2,7,13,17-tetramethyl-1,19-dioxo-3,18-divinyl-;Hematoidin;2,17-Diethenyl-1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-21H-biline-8,12-dipropanoic acid;Bilirubin;Bilirubin IXα;Cholerythrin;(Z,Z)-Bilirubin IXα;(Z,Z)-Bilirubin;(4Z,15Z)-Bilirubin IXα;NSC 26685;114-24-9;493-86-7;917-01-1;11053-42-2;19245-52-4;39372-61-7;55527-40-7;856927-39-4;1076199-07-9
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CAS No:
Characteristics
164
2.9
orange powder
1.3±0.1 g/cm3
192 °C
925.2°C at 760 mmHg
478.1±37.1 °C
1.640
Practically insoluble in wateraqueous acid: soluble
−20°C
Safety Information
NONH for all modes of transport
2
62-36/37/38-20/21/22
22-24/25-36-26
DU3038000
Xn
Stable. Refrigerate.
Bilirubin Use and Manufacturing
Principal pigment of bile and constituent of many biliary calculi
21H-Biline-8,12-dipropanoic acid, 2,17-diethenyl-1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-: ACTIVE
Computed Properties
Molecular Weight:584.7
XLogP3:2.9
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:12
Exact Mass:584.26348488
Monoisotopic Mass:584.26348488
Topological Polar Surface Area:164
Heavy Atom Count:43
Complexity:1340
Undefined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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