AG00IB88

635-65-4 | 21H-Biline-8,12-dipropanoic acid,2,17-diethenyl-1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-

AG00IB88

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CAS Number	635-65-4
Catalog Number	AG00IB88(AGN-PC-0T91HY)
Chemical Name	21H-Biline-8,12-dipropanoic acid,2,17-diethenyl-1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-
IUPAC Name	3-[2-[[3-(2-carboxyethyl)-5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(Z)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid
InChI	InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-14,34-35H,1-2,9-12,15H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-
InChI Key	BPYKTIZUTYGOLE-IFADSCNNSA-N
MDL Number	MFCD00005499
Molecular Formula	C33H36N4O6
Molecular Weight	584.6621
SMILES	C(=C)C=1C(NC(C1C)=CC1=C(C(=C(N1)CC1=C(C(=C(N1)C=C1C(=C(C(N1)=O)C)C=C)C)CCC(=O)O)CCC(=O)O)C)=O
UNII	RFM9X3LJ49
Synonyms	Bilirubin, Bilirubin IX alpha, Bilirubin, (15E)-Isomer, Bilirubin, (4E)-Isomer, Bilirubin, (4E,15E)-Isomer, Bilirubin, Calcium Salt, Bilirubin, Disodium Salt, Bilirubin, Monosodium Salt, Bilirubinate, Calcium, Calcium Bilirubinate, Calcium Salt Bilirubin, delta Bilirubin, delta-Bilirubin, Disodium Salt Bilirubin, Hematoidin, Monosodium Salt Bilirubin, Salt Bilirubin, Calcium, bilirubin, 635-65-4, Hematoidin, Hemetoidin, Principal bile pigment, UNII-RFM9X3LJ49, MFCD00005499, Bilirubin IXalpha, Bilirubin IX-alpha, EINECS 211-239-7, NSC 26685, 21H-Biline-8,12-dipropanoic acid, 2,17-diethenyl-1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-, BRN 0074376, RFM9X3LJ49, AI3-23078, Biline-8,12-dipropionic acid, 1,10,19,22,23,24-hexahydro-2,7,13,17-tetramethyl-1,19-dioxo-3,18-divinyl-, CHEBI:16990, BPYKTIZUTYGOLE-IFADSCNNSA-N, Bilirubin, 99%, PHEOPHYTIN, 3-[2-[[3-(2-carboxyethyl)-5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(Z)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, 93891-87-3, Calcium bilirubinate, Basinite, Bilibubin, Bilirubin IX alpha, BILIRUBIN (ALPHA), Disodium bilirubinate IXalpha, CCRIS 9347, bilirubin-IXalpha, bilirubin(Z,Z), Bilirubin,(S), 3-[5-[(Z)-(4-Ethenyl-3-Methyl-5-Oxidanylidene-Pyrrol-2-Ylidene)methyl]-2-[[5-[(Z)-(3-Ethenyl-4-Methyl-5-Oxidanylidene-Pyrrol-2-Ylidene)methyl]-3-(3-Hydroxy-3-Oxopropyl)-4-Methyl-1h-Pyrrol-2-Yl]methyl]-4-Methyl-1h-Pyrrol-3-Yl]propanoic Acid, EINECS 299-468-9, Bilirubin, 98%, Bilirubin IX.alpha., AC1NQWXK, Spectrum5_000410, bmse000627, SCHEMBL19065, BSPBio_002531, 5-26-15-00523 (Beilstein Handbook Reference), SPECTRUM1500857, CHEMBL501680, GTPL4577, SCHEMBL5086205, S00334a, 2,17-diethenyl-1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-21H-biline-8,12-dipropanoic acid, 3-{2-({3-(2-Carboxyethyl)-4-methyl-5-[(Z)-(3-methyl-5-oxo-4-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-1H-pyrrol-2-yl}methyl)-4-methyl-5-[(Z)-(4-methyl-5-ox, ALBB-030171, BCP13520, HY-N0323, BDBM50442897, CCG-38548, HSCI1_000394, ZINC18007499, AKOS015895627, Bilirubin, purum, >=95.0% (UV), SDCCGMLS-0066651.P001, VA10406, NCGC00095645-01, 1,10,19,22,23,24-hexahydro-2,7,13,17-tetramethyl-1,19-dioxo-3,18-divinylbiline-8,12-dipropionic acid, 18422-02-1, AC-20194, Disodium 1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-2,17-divinyl-21H-biline-8,12-dipropionate, LS-43989, SC-46396, TL8004437, CS-0008888, 3079-EP2305695A2, 3079-EP2305696A2, 3079-EP2305697A2, 3079-EP2305698A2, C00486, methyl-5-((Z)-(4-methyl-5-oxo-3-vinyl-1H-, 3-(2-((3-(2-carboxyethyl)-4-methyl-5-((Z), 635B654, Bilirubin, >=98% (EmM/453 = 60), powder, SR-05000002757, I06-0986, SR-05000002757-1, pyrrol-2(5H)-ylidene)methyl)-1H-pyrrol-3-yl)propanoic acid, 2,7,13,17-tetramethyl-1,19-dioxo-3,18-divinyl-1,10,19,22,23,24-hexahydro-21H-biline-8,12-dipropanoic acid, 21H-Biline-8,12-dipropanoic acid, 2,17-diethenyl-1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-, calcium salt, 21H-Biline-8,12-dipropanoic acid, 2,17-diethenyl-1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-, disodium salt, 3,18-diethenyl-2,7,13,17-tetramethyl-1,19-dioxo-1,10,19,22,23,24-hexahydro-21H-biline-8,12-dipropanoic acid, 3-(2-((3-(2-carboxyethyl)-4-methyl-5-((Z)-(3-methyl-5-oxo-4-vinyl-1H-pyrrol-2(5H)-ylidene)methyl)-1H-pyrrol-2-yl)methyl)-4-methyl-5-((Z)-(4-methyl-5-oxo-3-vinyl-1H-pyrrol-2(5H)-ylidene)methyl)-1H-pyrr, 3-(2-((3-(2-carboxyethyl)-4-methyl-5-((Z)-(3-methyl-5-oxo-4-vinyl-1H-pyrrol-2(5H)-ylidene)methyl)-1H-pyrrol-2-yl)methyl)-4-methyl-5-((Z)-(4-methyl-5-oxo-3-vinyl-1H-pyrrol-2(5H)-ylidene)methyl)-1H-pyrrol-3-yl)propanoic acid, 3-(2-((3-(2-Carboxyethyl)-4-methyl-5-[(Z)-(3-methyl-5-oxo-4-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-1H-pyrrol-2-yl)methyl)-4-methyl-5-[(Z)-(4-methyl-5-oxo-3-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene #, 3-(2-{[3-(2-carboxyethyl)-5-{[(2Z)-3-ethenyl-4-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-ylidene]methyl}-4-methyl-1H-pyrrol-2-yl]methyl}-5-{[(2Z)-4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-ylidene]methyl}-4-methyl-1H-pyrrol-3-yl)propanoic acid, 3-(2-{[3-(2-carboxyethyl)-5-{[(2Z)-4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-ylidene]methyl}-4-methyl-1H-pyrrol-2-yl]methyl}-5-{[(2Z)-3-ethenyl-4-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-ylidene]methyl}-4-methyl-1H-pyrrol-3-yl)propanoic acid, 8,12-bis(2-carboxyethyl)-2,7,13,17-tetramethyl-3,18-divinylbiladiene-ac-1,19(21H,24H)-dione, delta Bilirubin, delta-Bilirubin, Biliverdine Ix Alpha, Bilirubinate, Calcium, Bilirubin AR 100mg, Calcium Salt Bilirubin, Disodium Salt Bilirubin, Bilirubin, Calcium Salt, Salt Bilirubin, Calcium, Bilirubin, Disodium Salt, Monosodium Salt Bilirubin, Bilirubin, (4E)-Isomer, Bilirubin, Monosodium Salt, D0O8ZV, Bilirubin, (15E)-Isomer, C33H36N4O6.xCa, Bilirubin, (4E,15E)-Isomer, Bilirubin, 99% - 1G 1g, C33H36N4O6.2Na, C33H36N4O6, C33-H36-N4-O6.x-Ca, C33-H36-N4-O6.2Na, C33-H36-N4-O6, ACN-035351, CID5280352, CS-T-49099, B0460, -ylidene)methyl)-1H-pyrrol-2-yl)methyl)-4-, -(3-methyl-5-oxo-4-vinyl-1H-pyrrol-2(5H), B-2500, D001663, BLA, 21H-Biline-8,12-dipropanoic acid, 2,17-diethenyl-1,10,19,22, 23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo -, 3-[2-[3- -4-methyl-5- -1H-pyrrol-2-ylmethyl]-4-methyl-5- -1H-pyrrol-3-yl]-propionicacid, 69853-43-6,

Complexity	1340
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Exact Mass	584.263g/mol
Formal Charge	0
Heavy Atom Count	43
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	6
Isotope Atom Count	0
Molecular Weight	584.673g/mol
Monoisotopic Mass	584.263g/mol
Rotatable Bond Count	12
Topological Polar Surface Area	164A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number