Chlorin e6 trimethyl ester

CAS Registry Number®

35038-32-5

CAS Name

Chlorin e6 trimethyl ester

Molecular Formula

C37H42N4O6

Molecular Mass

638.75

Cite this Page

Chlorin e6 trimethyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=35038-32-5 (retrieved 2024-11-13) (CAS RN: 35038-32-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    206-210 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C37H42N4O6/c1-10-22-18(3)26-15-28-20(5)24(12-13-32(42)45-7)35(40-28)25(14-33(43)46-8)36-34(37(44)47-9)21(6)29(41-36)17-31-23(11-2)19(4)27(39-31)16-30(22)38-26/h10,15-17,20,24,38,41H,1,11-14H2,2-9H3/b26-15?,27-16-,28-15-,29-17-,30-16?,31-17?,35-25?,36-25-/t20-,24-/m0/s1

InChIKey

InChIKey=LXSAEOQFNKQCFM-MKCFQLTFSA-N

SMILES

C(C(OC)=O)C=1C2=C(C(OC)=O)C(C)=C(N2)C=C3C(CC)=C(C)C(=N3)C=C4NC(=CC5=NC1[C@@H](CCC(OC)=O)[C@@H]5C)C(C)=C4C=C

Canonical SMILES

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

Other Names for this Substance

  • 21H,23H-Porphine-7-propanoic acid, 13-ethenyl-18-ethyl-7,8-dihydro-3-(methoxycarbonyl)-5-(2-methoxy-2-oxoethyl)-2,8,12,17-tetramethyl-, methyl ester, (7S,8S)-
  • Chlorine e6, trimethyl ester
  • Chlorin e6 trimethyl ester
  • NSC 267064

Deleted or Replaced CAS Registry Numbers

5552-08-9, 15592-17-3, 55721-87-4, 117773-33-8, 179039-31-7, 220255-96-9, 909774-85-2, 2156703-74-9, 2920655-11-2

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