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Home > Imidazoles > 72177-42-5
72177-42-5 | protohemin mono-3-(imidazol-1-yl)propylamide monomethyl ester
CAS No: 72177-42-5 Catalog No: AG00FVNR MDL No:
Product Description
Catalog Number:
AG00FVNR
Chemical Name:
protohemin mono-3-(imidazol-1-yl)propylamide monomethyl ester
CAS Number:
72177-42-5
IUPAC Name:
iron(3+);methyl 3-[7,12-bis(ethenyl)-18-[3-(3-imidazol-1-ylpropylamino)-3-oxopropyl]-3,8,13,17-tetramethylporphyrin-21,24-diid-2-yl]propanoate;chloride
InChI:
InChI=1S/C41H44N7O3.ClH.Fe/c1-8-28-24(3)32-19-33-26(5)30(11-13-40(49)43-15-10-17-48-18-16-42-23-48)38(46-33)22-39-31(12-14-41(50)51-7)27(6)35(47-39)21-37-29(9-2)25(4)34(45-37)20-36(28)44-32;;/h8-9,16,18-23H,1-2,10-15,17H2,3-7H3,(H2-,43,44,45,46,47,49);1H;/q-1;;+3/p-2
InChI Key:
FLTBGCYMJSHEGY-UHFFFAOYSA-L
Properties
Complexity:
1200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
772.247g/mol
Formal Charge:
0
Heavy Atom Count:
53
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
773.136g/mol
Monoisotopic Mass:
772.247g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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