Uroporphyrin I dihydrochloride
CAS Registry Number®
68929-06-6
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CAS Name
Uroporphyrin I dihydrochlorideMolecular Formula
C40H38N4O16.2ClHCite this Page
Uroporphyrin I dihydrochloride. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=68929-06-6 (retrieved ) (CAS RN: 68929-06-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C40H38N4O16.2ClH/c45-33(46)5-1-17-21(9-37(53)54)29-14-26-19(3-7-35(49)50)23(11-39(57)58)31(43-26)16-28-20(4-8-36(51)52)24(12-40(59)60)32(44-28)15-27-18(2-6-34(47)48)22(10-38(55)56)30(42-27)13-25(17)41-29;;/h13-16,41,44H,1-12H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60);2*1H/b25-13-,26-14?,27-15-,28-16?,29-14-,30-13?,31-16-,32-15?;;
InChIKey
InChIKey=DZLKLVAJOHLPKP-QXVOECHBSA-N
SMILES
C(CC(O)=O)C=1C(CC(O)=O)=C2NC1C=C3C(CC(O)=O)=C(CCC(O)=O)C(=N3)C=C4C(CC(O)=O)=C(CCC(O)=O)C(=CC5=NC(=C2)C(CCC(O)=O)=C5CC(O)=O)N4.Cl
Canonical SMILES
Cl.O=C(O)CC=1C=2N=C(C=C3NC(=CC4=NC(=CC=5NC(C2)=C(C5CC(=O)O)CCC(=O)O)C(=C4CC(=O)O)CCC(=O)O)C(=C3CC(=O)O)CCC(=O)O)C1CCC(=O)O
Other Names for this Substance
- 21H,23H-Porphine-2,7,12,17-tetrapropanoic acid, 3,8,13,18-tetrakis(carboxymethyl)-, hydrochloride (1:2)
- 21H,23H-Porphine-2,7,12,17-tetrapropanoic acid, 3,8,13,18-tetrakis(carboxymethyl)-, dihydrochloride
- Uroporphyrin I dihydrochloride
