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Substance Name: Protoporphyrin dimethyl ester hematoporphyrin ether
RN: 121806-85-7
InChIKey: QZDJOQJWUMVRBI-BZIANTFBSA-N

Molecular Formula

  • C70-H76-N8-O10

Molecular Weight

  • 1187.4442
 
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Names and Synonyms

Name of Substance

  • Protoporphyrin dimethyl ester hematoporphyrin ether

Synonyms

  • 1-(3-(1-Hydroxyethyl)deuteroporphyrin-8-yl)-1'-(8-vinyldeuteroporphyrin dimethyl ester-3-yl)ethyl ester
  • Phdehe

Systematic Name

  • 21H,23H-Porphine-2,18-dipropanoic acid, 8-(1-(1-(2,18-bis(2-carboxyethyl)-12-(1-hydroxyethyl)-3,8,13,17-tetramethyl-21H,23H,porphin-7-yl)ethoxy)ethyl)-13-ethenyl-3,7,12,17-tetramethyl-, alpha2,alpha18-dimethyl ester

Registry Numbers

CAS Registry Number

  • 121806-85-7

System Generated Number

  • 0121806857

Structure Descriptors

InChI

1S/C71H78N8O9/c1-16-44-34(4)52-28-63-70(40(10)55(78-63)26-50-37(7)47(19-23-67(84)86-14)60(74-50)32-61-48(20-24-68(85)87-15)38(8)51(75-61)27-57(44)72-52)42(12)88-43(13)71-41(11)56-30-62-69(33(2)3)39(9)54(77-62)25-49-35(5)45(17-21-65(80)81)58(73-49)31-59-46(18-22-66(82)83)36(6)53(76-59)29-64(71)79-56/h16,25-33,42-43,72-74,79H,1,17-24H2,2-15H3,(H,80,81)(H,82,83)/b49-25-,50-26-,51-27-,52-28-,53-29-,54-25-,55-26-,56-30-,57-27-,58-31-,59-31-,60-32-,61-32-,62-30-,63-28-,64-29-

InChIKey

QZDJOQJWUMVRBI-BZIANTFBSA-N

Smiles

Cc1c2/cc/3\nc(/cc\4/c(c(/c(/[nH]4)c/c5n/c(c\c(c1CCC(=O)O)[nH]2)/C(=C5C)CCC(=O)O)C(C)OC(C)C6=C(/c/7c/c8c(c(c([nH]8)/cc/9\nc(/cc\1/c(c(/c(/[nH]1)c/c6n7)C)C=C)C(=C9CCC(=O)OC)C)CCC(=O)OC)C)C)C)C(=C3C)C(C)C