3-(Carboxymethyl)-12-ethyl-8,13,17-trimethyl-21H,23H-porphine-2,7,18-tripropanoic acid
CAS Registry Number®
36548-09-1
CAS Name
3-(Carboxymethyl)-12-ethyl-8,13,17-trimethyl-21H,23H-porphine-2,7,18-tripropanoic acidMolecular Formula
C36H38N4O8Molecular Mass
654.71Cite this Page
3-(Carboxymethyl)-12-ethyl-8,13,17-trimethyl-21H,23H-porphine-2,7,18-tripropanoic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=36548-09-1 (retrieved ) (CAS RN: 36548-09-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C36H38N4O8/c1-5-20-17(2)25-13-26-18(3)21(6-9-33(41)42)29(38-26)15-31-23(8-11-35(45)46)24(12-36(47)48)32(40-31)16-30-22(7-10-34(43)44)19(4)27(39-30)14-28(20)37-25/h13-16,37,40H,5-12H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)/b25-13?,26-13-,27-14-,28-14?,29-15?,30-16?,31-15-,32-16-
InChIKey
InChIKey=UHKZSWAPQUEURH-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)=C4CC
Canonical SMILES
O=C(O)CC1=C2C=C3N=C(C=C4NC(=CC5=NC(=CC(N2)=C1CCC(=O)O)C(=C5C)CCC(=O)O)C(=C4CC)C)C(=C3CCC(=O)O)C
Other Names for this Substance
- 21H,23H-Porphine-2,7,18-tripropanoic acid, 3-(carboxymethyl)-12-ethyl-8,13,17-trimethyl-
- Isocoproporphyrin, β-
- 3-(Carboxymethyl)-12-ethyl-8,13,17-trimethyl-21H,23H-porphine-2,7,18-tripropanoic acid
- Isocoproporphyrin
