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Substance Name: Hematoporphyrin IX dimethylester
RN: 32562-61-1
InChIKey: BIONBQTVWKNFKA-HRBATZQVSA-N

Molecular Formula

  • C36-H42-N4-O6

Molecular Weight

  • 626.75
 
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Names and Synonyms

Name of Substance

  • Hematoporphyrin IX dimethylester

Synonym

  • HPDME

Systematic Name

  • 21H,23H-Porphine-2,18-dipropanoic acid, 7,12-bis(1-hydroxyethyl)-3,8,13,17-tetramethyl-, dimethyl ester (VAN)

Registry Numbers

CAS Registry Number

  • 32562-61-1

System Generated Number

  • 0032562611

Structure Descriptors

InChI

1S/C36H42N4O6/c1-17-23(9-11-33(43)45-7)29-16-30-24(10-12-34(44)46-8)18(2)26(38-30)14-31-36(22(6)42)20(4)28(40-31)15-32-35(21(5)41)19(3)27(39-32)13-25(17)37-29/h13-16,21-22,38-39,41-42H,9-12H2,1-8H3/b25-13-,26-14-,27-13-,28-15-,29-16-,30-16-,31-14-,32-15-

InChIKey

BIONBQTVWKNFKA-HRBATZQVSA-N

Smiles

C=1(c2cc3c(CCC(=O)OC)c(c([nH]3)cc3nc(C(C)=C3[C@@H](C)O)cc3[nH]c(c(c3[C@@H](C)O)C)cc(n2)C1C)C)CCC(=O)OC