Chlorin e6

CAS Registry Number®

19660-77-6
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CAS Name

Chlorin e6

Molecular Formula

C34H36N4O6

Molecular Mass

596.67

Cite this Page

Chlorin e6.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=19660-77-6 (retrieved 2024-09-18) (CAS RN: 19660-77-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C34H36N4O6/c1-7-19-15(3)23-12-25-17(5)21(9-10-29(39)40)32(37-25)22(11-30(41)42)33-31(34(43)44)18(6)26(38-33)14-28-20(8-2)16(4)24(36-28)13-27(19)35-23/h7,12-14,17,21,35,38H,1,8-11H2,2-6H3,(H,39,40)(H,41,42)(H,43,44)/b23-12?,24-13-,25-12-,26-14-,27-13?,28-14?,32-22?,33-22-/t17-,21-/m0/s1

InChIKey

InChIKey=VAJLRIOJDADNAT-QXILTCMVSA-N

SMILES

C(C(O)=O)C1=C2[C@@H](CCC(O)=O)[C@H](C)C(=N2)C=C3NC(C(C=C)=C3C)=CC4=NC(=CC=5NC1=C(C(O)=O)C5C)C(CC)=C4C

Canonical SMILES

O=C(O)C=1C=2NC(=CC3=NC(=CC=4NC(C=C5N=C(C2CC(=O)O)C(CCC(=O)O)C5C)=C(C4C=C)C)C(=C3CC)C)C1C

Other Names for this Substance

  • 21H,23H-Porphine-7-propanoic acid, 3-carboxy-5-(carboxymethyl)-13-ethenyl-18-ethyl-7,8-dihydro-2,8,12,17-tetramethyl-, (7S,8S)-
  • 2-Porphinepropionic acid, 18-carboxy-20-(carboxymethyl)-13-ethyl-2β,3-dihydro-3β,7,12,17-tetramethyl-8-vinyl-
  • Chlorine e6
  • 21H,23H-Porphine-2-propanoic acid, 18-carboxy-20-(carboxymethyl)-8-ethenyl-13-ethyl-2,3-dihydro-3,7,12,17-tetramethyl-, (2S-trans)-
  • (7S,8S)-3-Carboxy-5-(carboxymethyl)-13-ethenyl-18-ethyl-7,8-dihydro-2,8,12,17-tetramethyl-21H,23H-porphine-7-propanoic acid

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Deleted or Replaced CAS Registry Numbers

130-47-2, 482-17-7, 23725-01-1, 25657-46-9, 28068-81-7, 53255-00-8, 127770-19-8, 220255-92-5, 261522-17-2, 2156703-73-8, 2924853-60-9