Porphyrin c

CAS Registry Number®

635-50-7

CAS Name

Porphyrin c

Molecular Formula

C40H48N6O8S2

Molecular Mass

804.97

Cite this Page

Porphyrin c.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=635-50-7 (retrieved 2024-10-03) (CAS RN: 635-50-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C40H48N6O8S2/c1-17-23(7-9-35(47)48)31-14-32-24(8-10-36(49)50)18(2)28(44-32)12-33-38(22(6)56-16-26(42)40(53)54)20(4)30(46-33)13-34-37(21(5)55-15-25(41)39(51)52)19(3)29(45-34)11-27(17)43-31/h11-14,21-22,25-26,44-45H,7-10,15-16,41-42H2,1-6H3,(H,47,48)(H,49,50)(H,51,52)(H,53,54)/b27-11-,28-12-,29-11?,30-13-,31-14?,32-14-,33-12?,34-13?

InChIKey

InChIKey=JDPDOXHWPOFIRV-JPITZJTRSA-N

SMILES

C(SCC(C(O)=O)N)(C)C=1C=2N=C(C1C)C=C3C(C(SCC(C(O)=O)N)C)=C(C)C(N3)=CC4=NC(=CC=5NC(C2)=C(C)C5CCC(O)=O)C(CCC(O)=O)=C4C

Canonical SMILES

O=C(O)CCC=1C=2N=C(C=C3NC(=CC4=NC(=CC=5NC(C2)=C(C5C)CCC(=O)O)C(=C4C)C(SCC(N)C(=O)O)C)C(=C3C)C(SCC(N)C(=O)O)C)C1C

Other Names for this Substance

  • 21H,23H-Porphine-2,18-dipropanoic acid, 7,12-bis[1-[(2-amino-2-carboxyethyl)thio]ethyl]-3,8,13,17-tetramethyl-
  • 2,18-Porphinedipropionic acid, 7,12-bis[1-[(2-amino-2-carboxyethyl)thio]ethyl]-3,8,13,17-tetramethyl-
  • Porphyrin c
  • 7,12-Bis[1-[(2-amino-2-carboxyethyl)thio]ethyl]-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoic acid

CAS INSIGHTSTM
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