AG000SIK

1263-63-4 | Mesoporphyrin Ix Dimethyl Ester

AG000SIK

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CAS Number	1263-63-4
Catalog Number	AG000SIK(AGN-PC-0PIA1P)
Chemical Name	Mesoporphyrin Ix Dimethyl Ester
EC Number	215-030-1
IUPAC Name	methyl 3-[8,13-diethyl-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate
InChI	InChI=1S/C36H42N4O4/c1-9-23-19(3)27-15-28-21(5)25(11-13-35(41)43-7)33(39-28)18-34-26(12-14-36(42)44-8)22(6)30(40-34)17-32-24(10-2)20(4)29(38-32)16-31(23)37-27/h15-18,37-38H,9-14H2,1-8H3
InChI Key	CQKDGYMHYLBWTQ-UHFFFAOYSA-N
MDL Number	MFCD19233596
Molecular Formula	C36H42N4O4
Molecular Weight	594.7431
NSC Number	16668
SMILES	CC(/C1=C/C2=C3CC)=C(C(/C=C(C(CCC(OC)=O)=C/4C)NC4=C/C5=N/C(C(CC)=C5C)=CC(N2)=C3C)=N1)CCC(OC)=O
Synonyms	Mesoporphyrin ix dimethyl ester, 1263-63-4, Mesoporphyrin dimethyl ester, NSC 16668, Mesoporphyrin ix,dimethyl ester, NSC16668, 21H,23H-Porphine-2,18-dipropanoic acid, 7,12-diethyl-3,8,13,17-tetramethyl-, dimethyl ester, dimethyl 3,3'-(7,12-diethyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoate, Dimethyl 7,12-diethyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropionate, 21H,23H-Porphine-2,18-dipropanoic acid, 7,12-diethyl-3,8,13,17-tetramethyl-, 2,18-dimethyl ester, Mesoporphyrin IX dimethyl ester (VAN), Mesoporphyrin dimethyl ester (VAN), EINECS 215-030-1, MFCD00010036, AC1L2WRY, AC1Q5ZWQ, mesoporphyrin dimethyl ether, SCHEMBL499197, CTK8D9233, CTK8G0807, CQKDGYMHYLBWTQ-UHFFFAOYSA-N, LUUYUVIPWOKSNM-MFBGAUBSSA-N, Mesoporphyrin(IX), dimethyl ester, MESOPORPHYRIN IXDIMETHYL ESTER, NSC-16668, MCULE-4539744598, BAS 00337969, Mesoporphyrin IX dimethyl ester, synthetic, FT-0633514, C-23306, J-005374, I14-112694, 2, 7,12-diethyl-3,8,13,17-tetramethyl-, dimethyl ester, 2,18-Porphinedipropionic acid, 7,12-diethyl-3,8,13, 17-tetramethyl-, dimethyl ester, 2,18-Porphinedipropionic acid, 7,12-diethyl-3,8,13,17-tetramethyl-, dimethyl ester, 21H,18-dipropanoic acid, 7,12-diethyl-3,8,13,17-tetramethyl-, dimethyl ester, Dimethyl 8,13-diethyl-3,7,12,17-tetramethyl-21H,23H-porphine-2,18-dipropionate, 2,18-Porphinedipropionic acid, 7,12-diethyl-3,8,13,17-tetramethyl-, dimethyl ester (VAN) (8CI), 21H,23H-Porphine-2, 18-dipropanoic acid, 7,12-diethyl-3,8,13,17-tetramethyl-, dimethyl ester, methyl 3-[(5Z,10Z,14Z,19Z)-7,12-diethyl-18-(3-methoxy-3-oxo-propyl)-3,8,13,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoate, methyl 3-[8,13-diethyl-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate, Mesoporphyrin IX, dimethyl ester, C36H42N4O4, CID79151, AR-1I5509, C36-H42-N4-O4, 6419-51-8,

Complexity	980
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	594.321g/mol
Formal Charge	0
Heavy Atom Count	44
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	594.756g/mol
Monoisotopic Mass	594.321g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	110A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.3

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

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