| Identification |
|---|
| Common Name | Temoporfin |
|---|
| Class | Small Molecule |
|---|
| Description | |
|---|
| Contaminant Sources | - ToxCast & Tox21 Chemicals
|
|---|
| Contaminant Type | Not Available |
|---|
| Chemical Structure | |
|---|
| Synonyms | | Value | Source |
|---|
| 2,3-Dihydro-5,10,15,20-tetra(m-hydroxyphenyl)porphyrin | ChEBI | | 3,3',3'',3'''-(7,8-dihydro-21H,23H-porphine-5,10,15,20-tetrayl)tetrakisphenol | ChEBI | | 3,3',3'',3'''-(7,8-dihydroporphyrin-5,10,15,20-tetrayl)tetraphenol | ChEBI | | Foscan | ChEBI | | m-THPC | ChEBI | | Meso-tetrahydroxyphenylchlorin | ChEBI |
|
|---|
| Chemical Formula | C44H32N4O4 |
|---|
| Average Molecular Mass | 680.764 g/mol |
|---|
| Monoisotopic Mass | 680.242 g/mol |
|---|
| CAS Registry Number | 122341-38-2 |
|---|
| IUPAC Name | 3-[7,12,17-tris(3-hydroxyphenyl)-21,22,23,24-tetraazapentacyclo[16.2.1.1³,⁶.1⁸,¹¹.1¹³,¹⁶]tetracosa-1,3,5,7,11(23),12,14,16,18(21),19-decaen-2-yl]phenol |
|---|
| Traditional Name | 3-[7,12,17-tris(3-hydroxyphenyl)-21,22,23,24-tetraazapentacyclo[16.2.1.1³,⁶.1⁸,¹¹.1¹³,¹⁶]tetracosa-1,3,5,7,11(23),12,14,16,18(21),19-decaen-2-yl]phenol |
|---|
| SMILES | OC1=CC=CC(=C1)C-1=C2\CCC(=N2)\C(=C2/N\C(\C=C2)=C(/C2=N/C(/C=C2)=C(\C2=CC=C\-1N2)C1=CC(O)=CC=C1)C1=CC(O)=CC=C1)\C1=CC(O)=CC=C1 |
|---|
| InChI Identifier | InChI=1S/C44H32N4O4/c49-29-9-1-5-25(21-29)41-33-13-15-35(45-33)42(26-6-2-10-30(50)22-26)37-17-19-39(47-37)44(28-8-4-12-32(52)24-28)40-20-18-38(48-40)43(36-16-14-34(41)46-36)27-7-3-11-31(51)23-27/h1-17,19,21-24,46-47,49-52H,18,20H2/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40- |
|---|
| InChI Key | LYPFDBRUNKHDGX-LWQDQPMZSA-N |
|---|
