Magnesate(3-), [(7S,8S)-3-carboxy-5-(carboxymethyl)-13-ethenyl-18-ethyl-7,8-dihydro-2,8,12,17-tetramethyl-21H,23H-porphine-7-propanoato(5-)-κN21N22N23N24]-, hydrogen (1:3), (SP-4-2)-

CAS Registry Number®

15611-43-5
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CAS Name

Magnesate(3-), [(7S,8S)-3-carboxy-5-(carboxymethyl)-13-ethenyl-18-ethyl-7,8-dihydro-2,8,12,17-tetramethyl-21H,23H-porphine-7-propanoato(5-)-κN21N22N23N24]-, hydrogen (1:3), (SP-4-2)-

Molecular Formula

C34H31MgN4O6.3H

Cite this Page

Magnesate(3-), [(7S,8S)-3-carboxy-5-(carboxymethyl)-13-ethenyl-18-ethyl-7,8-dihydro-2,8,12,17-tetramethyl-21H,23H-porphine-7-propanoato(5-)-κN21N22N23N24]-, hydrogen (1:3), (SP-4-2)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=15611-43-5 (retrieved 2022-10-06) (CAS RN: 15611-43-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C34H36N4O6.Mg/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;/h7,12-14,17,21H,1,8-11H2,2-6H3,(H5,35,36,37,38,39,40,41,42,43,44);/q;+2/p-2/t17-,21-;/m0./s1

InChIKey

InChIKey=UVOXKYYHMDAWNK-PVMVIUQGSA-L

SMILES

C(C([O-])=O)C=1C2=[N]3[Mg+2]45[N-]6C1C(C([O-])=O)=C(C)C6=CC7=[N]4C(=CC=8[N-]5C(C=C3[C@@H](C)[C@@H]2CCC([O-])=O)=C(C)C8C=C)C(C)=C7CC.[H+]

Canonical SMILES

[H+].O=C([O-])C1=C2C(=C3[N]4=C(C=C5C(=C(C=C)C6=CC=7C(=C(C8=CC(=C1C)[N-]2[Mg+2]4([N]78)[N-]65)CC)C)C)C(C)C3CCC(=O)[O-])CC(=O)[O-]

Other Names for this Substance

  • Magnesate(3-), [(7S,8S)-3-carboxy-5-(carboxymethyl)-13-ethenyl-18-ethyl-7,8-dihydro-2,8,12,17-tetramethyl-21H,23H-porphine-7-propanoato(5-)-κN21N22N23N24]-, hydrogen (1:3), (SP-4-2)-
  • Chlorophyllin a
  • Magnesate(3-), [(7S,8S)-3-carboxy-5-(carboxymethyl)-13-ethenyl-18-ethyl-7,8-dihydro-2,8,12,17-tetramethyl-21H,23H-porphine-7-propanoato(5-)-κN21N22N23N24]-, trihydrogen, (SP-4-2)-
  • Magnesium chlorophyllin

Deleted or Replaced CAS Registry Numbers

11006-92-1, 37348-48-4, 48240-36-4