Hexaporphyrin I

CAS Registry Number®

73913-56-1

CAS Name

Hexaporphyrin I

Molecular Formula

C38H38N4O12

Molecular Mass

742.73

Cite this Page

Hexaporphyrin I.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=73913-56-1 (retrieved 2024-11-22) (CAS RN: 73913-56-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C38H38N4O12/c1-17-19(3-7-33(43)44)27-13-25-18(2)20(4-8-34(45)46)28(40-25)15-31-24(12-38(53)54)22(6-10-36(49)50)30(42-31)16-32-23(11-37(51)52)21(5-9-35(47)48)29(41-32)14-26(17)39-27/h13-16,40-41H,3-12H2,1-2H3,(H,43,44)(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)/b25-13?,26-14?,27-13-,28-15?,29-14-,30-16?,31-15-,32-16-

InChIKey

InChIKey=AFHLWIUSJBEMJE-ATKHHOTQSA-N

SMILES

C(CC(O)=O)C=1C2=CC3=C(CC(O)=O)C(CCC(O)=O)=C(N3)C=C4N=C(C=C5NC(=CC(=N2)C1CC(O)=O)C(CCC(O)=O)=C5C)C(CCC(O)=O)=C4C

Canonical SMILES

O=C(O)CC=1C2=NC(=CC=3NC(C=C4N=C(C=C5NC(=C2)C(=C5C)CCC(=O)O)C(=C4C)CCC(=O)O)=C(C3CC(=O)O)CCC(=O)O)C1CCC(=O)O

Other Names for this Substance

  • 21H,23H-Porphine-2,7,12,17-tetrapropanoic acid, 3,8-bis(carboxymethyl)-13,18-dimethyl-
  • 3,8-Bis(carboxymethyl)-13,18-dimethyl-21H,23H-porphine-2,7,12,17-tetrapropanoic acid
  • Hexaporphyrin I
  • Hexacarboxyporphyrin

Deleted or Replaced CAS Registry Numbers

120218-83-9, 142168-22-7, 923033-42-5

CAS INSIGHTSTM
Targeted protein degrader structure, illustration