Heptaporphyrin I

CAS Registry Number®

65406-45-3

CAS Name

Heptaporphyrin I

Molecular Formula

C39H38N4O14

Molecular Mass

786.74

Cite this Page

Heptaporphyrin I.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=65406-45-3 (retrieved 2024-11-22) (CAS RN: 65406-45-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C39H38N4O14/c1-17-18(2-6-33(44)45)26-14-30-23(11-38(54)55)20(4-8-35(48)49)28(42-30)16-32-24(12-39(56)57)21(5-9-36(50)51)29(43-32)15-31-22(10-37(52)53)19(3-7-34(46)47)27(41-31)13-25(17)40-26/h13-16,41-42H,2-12H2,1H3,(H,44,45)(H,46,47)(H,48,49)(H,50,51)(H,52,53)(H,54,55)(H,56,57)/b25-13?,26-14-,27-13-,28-16?,29-15?,30-14?,31-15-,32-16-

InChIKey

InChIKey=GWTVAIDNCPVMLP-CYNWDAEWSA-N

SMILES

C(CC(O)=O)C=1C=2N=C(C1CC(O)=O)C=C3C(CCC(O)=O)=C(CC(O)=O)C(N3)=CC4=NC(=CC=5NC(C2)=C(CC(O)=O)C5CCC(O)=O)C(C)=C4CCC(O)=O

Canonical SMILES

O=C(O)CC=1C2=NC(=CC=3NC(C=C4N=C(C=C5NC(=C2)C(=C5CC(=O)O)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, 3,8,13-tris(carboxymethyl)-18-methyl-
  • 3,8,13-Tris(carboxymethyl)-18-methyl-21H,23H-porphine-2,7,12,17-tetrapropanoic acid
  • Heptaporphyrin I
  • Heptacarboxyporphyrin

Deleted or Replaced CAS Registry Numbers

100689-56-3, 142168-23-8, 73913-55-0, 188726-84-3, 189187-91-5, 871915-08-1

CAS INSIGHTSTM
Targeted protein degrader structure, illustration