Talaporfin sodium
tetrasodium;(2S)-2-[[2-[(2S,3S)-7-carboxylato-3-(2-carboxylatoethyl)-17-ethenyl-12-ethyl-2,8,13,18-tetramethyl-2,3,23,24-tetrahydroporphyrin-5-yl]acetyl]amino]butanedioate
Molecular Identity
Talaporfin sodium
tetrasodium;(2S)-2-[[2-[(2S,3S)-7-carboxylato-3-(2-carboxylatoethyl)-17-ethenyl-12-ethyl-2,8,13,18-tetramethyl-2,3,23,24-tetrahydroporphyrin-5-yl]acetyl]amino]butanedioate
PubChem CID: 5488036
2D Structure
Properties
C38H37N5Na4O9
Molecular Formula
799.70
Molecular Weight
g/mol
799.2182
Exact Mass
Da
247
TPSA
May have limited oral absorption
3
H-Bond Donors
11
H-Bond Acceptors
1340
Complexity
SMILES
Canonical SMILES
SMILES: CCC1=C(C2=CC3=C(C(=C(N3)C=C4C(C(C(=N4)C(=C5C(=C(C(=N5)C=C1N2)C)C(=O)[O-])CC(=O)NC(CC(=O)[O-])C(=O)[O-])CCC(=O)[O-])C)C)C=C)C.[Na+].[Na+].[Na+].[Na+]Isomeric SMILES
SMILES: CCC1=C(C2=CC3=C(C(=C(N3)C=C4[C@H]([C@@H](C(=N4)C(=C5C(=C(C(=N5)C=C1N2)C)C(=O)[O-])CC(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])CCC(=O)[O-])C)C)C=C)C.[Na+].[Na+].[Na+].[Na+]Synonyms(20)
Talaporfin sodiumLaserphyrin220201-34-3Taporfin sodiumNPe6Talaporfin (sodium salt)LS-11Mono-L-aspartyl chlorin e6Talaporfin sodium [USAN]Talaporfin tetrasodium saltME-2906tetrasodium;(2S)-2-[[2-[(2S,3S)-7-carboxylato-3-(2-carboxylatoethyl)-17-ethenyl-12-ethyl-2,8,13,18-tetramethyl-2,3,23,24-tetrahydroporphyrin-5-yl]acetyl]amino]butanedioateL63605PZ70ME 2906L-Aspartic acid, N-(((7S,8S)-3-carboxy-7-(2-carboxyethyl)-13-ethenyl-18-ethyl-7,8-dihydro-2,8,12,17-tetramethyl-21H,23H-porphin-5-yl)acetyl)-, tetrasodium salt
Data from PubChem (NCBI)
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