21H,23H-Porphine-2,7,13,18-tetrapropanoic acid, 3,8,12,17-tetrakis(carboxymethyl)-
CAS Registry Number®
613-02-5
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CAS Name
21H,23H-Porphine-2,7,13,18-tetrapropanoic acid, 3,8,12,17-tetrakis(carboxymethyl)-Molecular Formula
C40H38N4O16Molecular Mass
830.75Cite this Page
21H,23H-Porphine-2,7,13,18-tetrapropanoic acid, 3,8,12,17-tetrakis(carboxymethyl)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=613-02-5 (retrieved ) (CAS RN: 613-02-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C40H38N4O16/c45-33(46)5-1-17-21(9-37(53)54)29-14-27-19(3-7-35(49)50)23(11-39(57)58)31(43-27)16-32-24(12-40(59)60)20(4-8-36(51)52)28(44-32)15-30-22(10-38(55)56)18(2-6-34(47)48)26(42-30)13-25(17)41-29/h13-16,41,44H,1-12H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)/b25-13?,26-13-,27-14-,28-15-,29-14?,30-15?,31-16?,32-16-
InChIKey
InChIKey=AJLMJIKELQBUTG-VJCKZMALSA-N
SMILES
C(C(O)=O)C1=C2NC(=C1CCC(O)=O)C=C3C(CC(O)=O)=C(CCC(O)=O)C(=N3)C=C4NC(=CC5=NC(=C2)C(CC(O)=O)=C5CCC(O)=O)C(CC(O)=O)=C4CCC(O)=O
Canonical SMILES
O=C(O)CC=1C2=NC(=CC=3NC(C=C4N=C(C=C5NC(=C2)C(=C5CCC(=O)O)CC(=O)O)C(=C4CCC(=O)O)CC(=O)O)=C(C3CC(=O)O)CCC(=O)O)C1CCC(=O)O
Other Names for this Substance
- 21H,23H-Porphine-2,7,13,18-tetrapropanoic acid, 3,8,12,17-tetrakis(carboxymethyl)-
- Uroporphyrin IV
- 2,7,13,18-Porphinetetrapropionic acid, 3,8,12,17-tetrakis(carboxymethyl)-
