Molecular Identity
Hematoporphyrin
3-[18-(2-carboxyethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid
PubChem CID: 11103
Hematoporphyrin is a dicarboxylic acid that is protoporphyrin in which the vinyl groups at positions 7 and 12 are replaced by 1-hydroxyethyl groups. It has a role as a photosensitizing agent. It is a member of protoporphyrins and a dicarboxylic acid. It is functionally related to a protoporphyrin.
2D Structure
Properties
C34H38N4O6
Molecular Formula
598.70
Molecular Weight
g/mol
598.2791
Exact Mass
Da
2.1
XLogP
Drug-like (Lipinski: < 5)
172
TPSA
May have limited oral absorption
6
H-Bond Donors
8
H-Bond Acceptors
1020
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C(C)O)C)C(=C4CCC(=O)O)C)C(=C3C)CCC(=O)O)C(C)OIsomeric SMILES
SMILES: CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C(C)O)C)C(=C4CCC(=O)O)C)C(=C3C)CCC(=O)O)C(C)OSynonyms(20)
HEMATOPORPHYRINHaematoporphyrinHematoporphyrin IX14459-29-1PhotodynHematoporphyrin IHemoporfinNSC 59265NSC-5926521H,23H-Porphine-2,18-dipropanoic acid, 7,12-bis(1-hydroxyethyl)-3,8,13,17-tetramethyl-HPNSC59265NSC 267084NSC-2670847,12-Bis(1-hydroxyethyl)-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoic acid
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Hematoporphyrin
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