Photochlor

CAS Registry Number®

149402-51-7
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CAS Name

Photochlor

Molecular Formula

C39H48N4O4

Molecular Mass

636.82

Cite this Page

Photochlor.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=149402-51-7 (retrieved 2024-04-27) (CAS RN: 149402-51-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=PVXGCBZIVFCMJK-UOFJUDOESA-N

SMILES

C(CC(O)=O)[C@@H]1C2=C3C4=C(C(=O)C3)C(C)=C(N4)C=C5C(CC)=C(C)C(=N5)C=C6NC(=CC(=N2)[C@H]1C)C(C)=C6C(OCCCCCC)C

Canonical SMILES

O=C(O)CCC1C2=NC(=CC=3NC(C=C4N=C(C=C5NC=6C(C(=O)CC62)=C5C)C(=C4C)CC)=C(C3C)C(OCCCCCC)C)C1C

Other Names for this Substance

  • 3-Phorbinepropanoic acid, 14-ethyl-9-[1-(hexyloxy)ethyl]-4,8,13,18-tetramethyl-20-oxo-, (3S,4S)-
  • (3S,4S)-14-Ethyl-9-[1-(hexyloxy)ethyl]-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoic acid
  • 3-Devinyl-3-(1′-hexyloxy)ethylpyropheophorbide A
  • HPPH
  • 3-[1′-(Hexyloxy)ethyl]-3-devinylpyropheophorbide a

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Deleted or Replaced CAS Registry Numbers

2765587-66-2

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