Zn(Ii)-(20-Oxo-Protoporphyrin Ix)
Thuốc Gốc
Small Molecule
CTHH: C34H32N4O5Zn
PTK: 642.051
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C34H32N4O5Zn
Phân tử khối
642.051
Monoisotopic mass
640.166416732
InChI
InChI=1S/C34H34N4O5.Zn/c1-7-20-16(3)24-14-27-21(8-2)18(5)32(37-27)34(43)33-19(6)23(10-12-31(41)42)29(38-33)15-28-22(9-11-30(39)40)17(4)25(36-28)13-26(20)35-24;/h7-8,13-15H,1-2,9-12H2,3-6H3,(H5,35,36,37,38,39,40,41,42,43);/q;+2/p-2/b24-14-,25-13-,26-13-,27-14-,28-15-,29-15-,34-32+,34-33+;
InChI Key
InChIKey=GKGQUBKNYNPVCL-GYHFSKQYSA-L
IUPAC Name
10,14-bis(2-carboxyethyl)-4,19-diethenyl-7-hydroxy-5,9,15,20-tetramethyl-2,22,23,25-tetraaza-1-zincaoctacyclo[11.9.1.1^{1,8}.1^{3,21}.0^{2,6}.0^{16,23}.0^{18,22}.0^{11,25}]pentacosa-2,4,6,8,10,12,14,16(23),17,19,21(24)-undecaene-1,1-bis(ylium)-2,23-diuide
Traditional IUPAC Name
10,14-bis(2-carboxyethyl)-4,19-diethenyl-7-hydroxy-5,9,15,20-tetramethyl-2,22,23,25-tetraaza-1-zincaoctacyclo[11.9.1.1^{1,8}.1^{3,21}.0^{2,6}.0^{16,23}.0^{18,22}.0^{11,25}]pentacosa-2,4,6,8,10,12,14,16(23),17,19,21(24)-undecaene-1,1-bis(ylium)-2,23-diuide
SMILES
CC1=C(C=C)C2=CC3=[N-]4C(=CC5=C(CCC(O)=O)C(C)=C6N5[Zn++]44N2C1=CC1=[N-]4C(C(C)=C1C=C)=C6O)C(CCC(O)=O)=C3C
PSA
109.02 Å2
Refractivity
178.08 m3·mol-1
Polarizability
70.41 Å3
Rotatable Bond Count
8
H Bond Acceptor Count
0
H Bond Donor Count
0
Physiological Charge
0
Number of Rings
8
Bioavailability
0
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Substance
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