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经验公式(希尔记法):
C36H38N4O8 · 2HCl
化学文摘社编号:
分子量:
727.63
UNSPSC Code:
12161600
PubChem Substance ID:
NACRES:
NA.22
MDL number:
产品名称
粪卟啉 I 二盐酸盐, synthetic
Quality Segment
form
solid
reaction suitability
core: porphyrin, reagent type: catalyst
λmax
395 nm
SMILES string
Cl.Cl.Cc1c(CCC(O)=O)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(CCC(O)=O)c5C)c(CCC(O)=O)c4C)c(CCC(O)=O)c3C
InChI
1S/C36H38N4O8.2ClH/c1-17-21(5-9-33(41)42)29-14-26-19(3)23(7-11-35(45)46)31(39-26)16-28-20(4)24(8-12-36(47)48)32(40-28)15-27-18(2)22(6-10-34(43)44)30(38-27)13-25(17)37-29;;/h13-16,37,40H,5-12H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48);2*1H/b25-13-,26-14-,27-15-,28-16-,29-14-,30-13-,31-16-,32-15-;;
InChI key
XROPZSRTTZKNQB-ARSPAUKVSA-N
存储类别
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)