Uroporphyrin I, octamethyl ester

CAS Registry Number®

10170-03-3
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CAS Name

Uroporphyrin I, octamethyl ester

Molecular Formula

C48H54N4O16

Molecular Mass

942.96

Cite this Page

Uroporphyrin I, octamethyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=10170-03-3 (retrieved 2024-04-20) (CAS RN: 10170-03-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    284-285 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C48H54N4O16/c1-61-41(53)13-9-25-29(17-45(57)65-5)37-22-34-27(11-15-43(55)63-3)31(19-47(59)67-7)39(51-34)24-36-28(12-16-44(56)64-4)32(20-48(60)68-8)40(52-36)23-35-26(10-14-42(54)62-2)30(18-46(58)66-6)38(50-35)21-33(25)49-37/h21-24,49,52H,9-20H2,1-8H3/b33-21-,34-22?,35-23-,36-24?,37-22-,38-21?,39-24-,40-23?

InChIKey

InChIKey=RZIFHRRCTMJBHH-AUUBDIRQSA-N

SMILES

C(CC(OC)=O)C=1C(CC(OC)=O)=C2NC1C=C3C(CC(OC)=O)=C(CCC(OC)=O)C(=N3)C=C4C(CC(OC)=O)=C(CCC(OC)=O)C(=CC5=NC(=C2)C(CCC(OC)=O)=C5CC(OC)=O)N4

Canonical SMILES

O=C(OC)CC=1C=2N=C(C=C3NC(=CC4=NC(=CC=5NC(C2)=C(C5CC(=O)OC)CCC(=O)OC)C(=C4CC(=O)OC)CCC(=O)OC)C(=C3CC(=O)OC)CCC(=O)OC)C1CCC(=O)OC

Other Names for this Substance

  • 21H,23H-Porphine-2,7,12,17-tetraacetic acid, 3,8,13,18-tetrakis(3-methoxy-3-oxopropyl)-, 2,7,12,17-tetramethyl ester
  • 2,7,12,17-Porphinetetrapropionic acid, 3,8,13,18-tetrakis(carboxymethyl)-, octamethyl ester
  • 21H,23H-Porphine-2,7,12,17-tetrapropanoic acid, 3,8,13,18-tetrakis(2-methoxy-2-oxoethyl)-, tetramethyl ester
  • Uroporphyrin I, octamethyl ester
  • NSC 89197

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