Hematoporphyrin dihydrochloride

Catalog Number

ACM17696694-1

CAS

17696-69-4

Structure

Synonyms

Hematoporphyrin(Dihydrochloride)

IUPAC Name

3-[18-(2-carboxyethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoicacid;dihydrochloride

Molecular Weight

671.61

Molecular Formula

C34H40Cl2N4O6

Canonical SMILES

CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C(C)O)C)C(=C4CCC(=O)O)C)C(=C3C)CCC(=O)O)C(C)O.Cl.Cl

InChI

InChI=1S/C34H38N4O6.2ClH/c1-15-21(7-9-31(41)42)27-14-28-22(8-10-32(43)44)16(2)24(36-28)12-29-34(20(6)40)18(4)26(38-29)13-30-33(19(5)39)17(3)25(37-30)11-23(15)35-27;;/h11-14,19-20,37-40H,7-10H2,1-6H3,(H,41,42)(H,43,44);2*1H

InChI Key

WZQQOXSHARXAID-UHFFFAOYSA-N

Purity

95%

Appearance

Purple powder

Storage

Room temperature

• Catalog Number: ACM17696694-1
• CAS: 17696-69-4
• Synonyms: Hematoporphyrin(Dihydrochloride)
• IUPAC Name: 3-[18-(2-carboxyethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoicacid;dihydrochloride
• Molecular Weight: 671.61
• Molecular Formula: C34H40Cl2N4O6
• Canonical SMILES: CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C(C)O)C)C(=C4CCC(=O)O)C)C(=C3C)CCC(=O)O)C(C)O.Cl.Cl
• InChI: InChI=1S/C34H38N4O6.2ClH/c1-15-21(7-9-31(41)42)27-14-28-22(8-10-32(43)44)16(2)24(36-28)12-29-34(20(6)40)18(4)26(38-29)13-30-33(19(5)39)17(3)25(37-30)11-23(15)35-27;;/h11-14,19-20,37-40H,7-10H2,1-6H3,(H,41,42)(H,43,44);2*1H
• InChI Key: WZQQOXSHARXAID-UHFFFAOYSA-N
• Purity: 95%
• Appearance: Purple powder
• Storage: Room temperature