3-[18-(2-carboxyethyl)-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoicacid

Catalog Number

ACM68929055-1

CAS

68929-05-5

Structure

Synonyms

DeuteroporphyrinI X Dihydrochloride

IUPAC Name

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

Molecular Weight

510.58

Molecular Formula

C30H30N4O4

Canonical SMILES

CC1=CC2=CC3=C(C=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)O)CCC(=O)O)C)C.Cl.Cl

InChI

InChI=1S/C30H30N4O4.2ClH/c1-15-9-20-12-25-17(3)21(5-7-29(35)36)27(33-25)14-28-22(6-8-30(37)38)18(4)26(34-28)13-24-16(2)10-19(32-24)11-23(15)31-20;;/h9-14,31-32H,5-8H2,1-4H3,(H,35,36)(H,37,38);2*1H

InChI Key

WHBYKWKOLACDOX-UHFFFAOYSA-N

Purity

95%

Storage

-20 °C

• Catalog Number: ACM68929055-1
• CAS: 68929-05-5
• Synonyms: DeuteroporphyrinI X Dihydrochloride
• IUPAC Name: 3-[18-(2-carboxyethyl)-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoicacid;dihydrochloride
• Molecular Weight: 510.58
• Molecular Formula: C30H30N4O4
• Canonical SMILES: CC1=CC2=CC3=C(C=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)O)CCC(=O)O)C)C.Cl.Cl
• InChI: InChI=1S/C30H30N4O4.2ClH/c1-15-9-20-12-25-17(3)21(5-7-29(35)36)27(33-25)14-28-22(6-8-30(37)38)18(4)26(34-28)13-24-16(2)10-19(32-24)11-23(15)31-20;;/h9-14,31-32H,5-8H2,1-4H3,(H,35,36)(H,37,38);2*1H
• InChI Key: WHBYKWKOLACDOX-UHFFFAOYSA-N
• Purity: 95%
• Storage: -20 °C