Phyriaporphyrin

CAS Registry Number®

25744-38-1

CAS Name

Phyriaporphyrin

Molecular Formula

C39H38N4O14

Molecular Mass

786.74

Cite this Page

Phyriaporphyrin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=25744-38-1 (retrieved 2024-11-24) (CAS RN: 25744-38-1).  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)26-14-27-20(4-8-35(48)49)23(11-38(54)55)31(42-27)16-29-21(5-9-36(50)51)24(12-39(56)57)32(43-29)15-28-19(3-7-34(46)47)22(10-37(52)53)30(41-28)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-,27-14?,28-15-,29-16-,30-13-,31-16?,32-15?

InChIKey

InChIKey=NGHBDJAOMFYFRP-HKAAXOROSA-N

SMILES

C(C(O)=O)C=1C=2N=C(C1CCC(O)=O)C=C3C(CC(O)=O)=C(CCC(O)=O)C(N3)=CC4=NC(=CC=5NC(C2)=C(CCC(O)=O)C5CC(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(=C4CCC(=O)O)C)=C(C3CC(=O)O)CCC(=O)O)C1CCC(=O)O

Other Names for this Substance

  • 21H,23H-Porphine-2,7,12,18-tetrapropanoic acid, 3,8,13-tris(carboxymethyl)-17-methyl-
  • Pseudouroporphyrin
  • 2,7,12,18-Porphinetetrapropionic acid, 3,8,13-tris(carboxymethyl)-17-methyl-
  • 3,8,13-Tris(carboxymethyl)-17-methyl-21H,23H-porphine-2,7,12,18-tetrapropanoic acid
  • Phyriaporphyrin

View All

Deleted or Replaced CAS Registry Numbers

123999-37-1, 5572-36-1, 28983-90-6

CAS INSIGHTSTM
Hourglass and a clock