Cas no 142234-85-3 (21H,23H-Porphine-2,18-dipropanoicacid, 8,13-diethyl-3,7,12,17,23-pentamethyl- (9CI))

21H,23H-Porphine-2,18-dipropanoicacid, 8,13-diethyl-3,7,12,17,23-pentamethyl- (9CI) structure
142234-85-3 structure
Product Name:21H,23H-Porphine-2,18-dipropanoicacid, 8,13-diethyl-3,7,12,17,23-pentamethyl- (9CI)
CAS No:142234-85-3
MF:C35H40N4O4
MW:580.716508865356
MDL:MFCD00216786
CID:207311
PubChem ID:656404
Update Time:2025-04-19

21H,23H-Porphine-2,18-dipropanoicacid, 8,13-diethyl-3,7,12,17,23-pentamethyl- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 21H,23H-Porphine-2,18-dipropanoicacid, 8,13-diethyl-3,7,12,17,23-pentamethyl- (9CI)
    • 3-[18-(2-carboxyethyl)-7,12-diethyl-3,8,13,17,22-pentamethyl-23H-porphyrin-2-yl]propanoic acid
    • 21H,23H-Porphine-2,18-dipropanoic acid, 8,13-diethyl-3,7,12,17,23-pentamethyl- (9CI)
    • DTXSID70349630
    • SCHEMBL18428599
    • 142234-85-3
    • 21H,23H-porphine-2,18-dipropanoic acid, 8,13-diethyl-3,7,12,17,23-pentamethyl-
    • 21H,23H-porphine-2,18-dipropanoic acid, 8,13-diethyl-3,7,12,17,23-pentamethyl
    • AS-78868
    • HY-133821
    • N-methyl mesoporphyrin IX
    • SCHEMBL13325428
    • N-methylmesoporphyrinIX
    • J-007623
    • 3-[20-(2-carboxyethyl)-9,14-diethyl-5,10,15,19,23-pentamethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1(3),?.1?,(1)(1).1(1)(3),(1)?]tetracosa-1,3(24),4,6,8,10,12,14,16,18(21),19-undecaen-4-yl]propanoic acid
    • inverted exclamation markY95% (mixture of isomers)
    • DA-66139
    • MDL: MFCD00216786
    • Inchi: 1S/C35H40N4O4/c1-8-22-18(3)26-14-27-19(4)24(10-12-34(40)41)29(36-27)15-30-25(11-13-35(42)43)20(5)28(38-30)16-33-23(9-2)21(6)32(39(33)7)17-31(22)37-26/h14-17,37H,8-13H2,1-7H3,(H,40,41)(H,42,43)/b26-14-,27-14-,28-16-,29-15-,30-15-,31-17-,32-17-,33-16-
    • InChI Key: XODZICXILWCPBD-UQOLDQHFSA-N
    • SMILES: OC(CCC1C2C=C3C(CCC(=O)O)=C(C)C(C=C4C(C)=C(CC)C(=CC5=C(C)C(CC)=C(C=C(C=1C)N=2)N5C)N4)=N3)=O |t:6,17,24,33|

Computed Properties

  • Exact Mass: 582.32086
  • Monoisotopic Mass: 580.304956
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 43
  • Rotatable Bond Count: 8
  • Complexity: 980
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 121
  • XLogP3: 4.6

Experimental Properties

  • Density: 1.26
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • Refractive Index: 1.642
  • PSA: 119.71

21H,23H-Porphine-2,18-dipropanoicacid, 8,13-diethyl-3,7,12,17,23-pentamethyl- (9CI) Pricemore >>

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