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Details

Stereochemistry EPIMERIC
Molecular Formula C39H48N4O4
Molecular Weight 636.8228
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(1-HEXYLOXYETHYL)-2-DEVINYLPYROPHEOPHORBIDE A

SMILES

CCCCCCOC(C)C1=C2NC(C=C3N=C([C@@H](CCC(O)=O)[C@@H]3C)C4=C5NC(=CC6=NC(=C2)C(C)=C6CC)C(C)=C5C(=O)C4)=C1C

InChI

InChIKey=PVXGCBZIVFCMJK-NMWXTPPCSA-N
InChI=1S/C39H48N4O4/c1-8-10-11-12-15-47-24(7)36-22(5)30-17-29-21(4)26(13-14-35(45)46)38(42-29)27-16-34(44)37-23(6)31(43-39(27)37)18-32-25(9-2)20(3)28(40-32)19-33(36)41-30/h17-19,21,24,26,41,43H,8-16H2,1-7H3,(H,45,46)/b28-19-,29-17-,30-17-,31-18-,32-18-,33-19-,38-27-/t21-,24?,26-/m0/s1

HIDE SMILES / InChI

Molecular Formula C39H46N4O4
Molecular Weight 634.8069
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 2 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Description

2-(1-Hexyloxyethyl)-2-devinyl pyropheophorbide-a (HPPH), a chlorin-based photosensitize, is used in photodynamic therapy. It has been shown the therapeutic potential of HPPH in phase II clinical trials for the treatment of esophageal cancer. Besides, HPPH participated in clinical trials in treating patients with advanced non-small cell lung cancer that blocks the air passages. However, these studies were terminated.

Approval Year

PubMed

Substance Class Chemical
Record UNII
DOB7Y3RSX0
Record Status Validated (UNII)
Record Version