3-(Carboxymethyl)-8,13,17-trimethyl-21H,23H-porphine-2,7,12,18-tetrapropanoic acid
CAS Registry Number®
28100-78-9
CAS Name
3-(Carboxymethyl)-8,13,17-trimethyl-21H,23H-porphine-2,7,12,18-tetrapropanoic acidMolecular Formula
C37H38N4O10Molecular Mass
698.72Cite this Page
3-(Carboxymethyl)-8,13,17-trimethyl-21H,23H-porphine-2,7,12,18-tetrapropanoic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=28100-78-9 (retrieved ) (CAS RN: 28100-78-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C37H38N4O10/c1-17-20(4-8-33(42)43)28-14-27-19(3)22(6-10-35(46)47)30(40-27)16-32-24(12-37(50)51)23(7-11-36(48)49)31(41-32)15-29-21(5-9-34(44)45)18(2)26(39-29)13-25(17)38-28/h13-16,38,41H,4-12H2,1-3H3,(H,42,43)(H,44,45)(H,46,47)(H,48,49)(H,50,51)/b25-13?,26-13-,27-14-,28-14?,29-15?,30-16?,31-15-,32-16-
InChIKey
InChIKey=ZDOIEGHZCIVBFD-NYAKJSRYSA-N
SMILES
C(CC(O)=O)C1=C2NC(=C1CC(O)=O)C=C3C(CCC(O)=O)=C(C)C(=N3)C=C4NC(=CC5=NC(=C2)C(CCC(O)=O)=C5C)C(C)=C4CCC(O)=O
Canonical SMILES
O=C(O)CC1=C2C=C3N=C(C=C4NC(=CC5=NC(=CC(N2)=C1CCC(=O)O)C(=C5C)CCC(=O)O)C(=C4CCC(=O)O)C)C(=C3CCC(=O)O)C
Other Names for this Substance
- 21H,23H-Porphine-2,7,12,18-tetrapropanoic acid, 3-(carboxymethyl)-8,13,17-trimethyl-
- 2,7,12,18-Porphinetetrapropionic acid, 3-(carboxymethyl)-8,13,17-trimethyl-
- 3-(Carboxymethyl)-8,13,17-trimethyl-21H,23H-porphine-2,7,12,18-tetrapropanoic acid
- Pentacarboxyporphyrin
- 21H,23H-Porphinepentacarboxylic acid
Deleted or Replaced CAS Registry Numbers
123322-64-5, 28855-19-8