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Hematoporphyrin IX dimethyl ester

CAT: 0024-sc-263352Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-263352Size:25 mg
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CAS Number
32562-61-1

Chemical Information

Hematoporphyrin IX dimethyl ester
CAS Number32562-61-1
PubChem CID169446
IUPAC Namemethyl 3-[8,13-bis(1-hydroxyethyl)-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate
Molecular FormulaC36H42N4O6
Molecular Weight626.7
XLogP2.8
Topological Polar Surface Area150
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Heavy Atom Count46
Formal Charge0
Complexity1050
SMILES
CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C(C)O)C)C(=C4CCC(=O)OC)C)C(=C3C)CCC(=O)OC)C(C)O
InChI
InChI=1S/C36H42N4O6/c1-17-23(9-11-33(43)45-7)29-16-30-24(10-12-34(44)46-8)18(2)26(38-30)14-31-36(22(6)42)20(4)28(40-31)15-32-35(21(5)41)19(3)27(39-32)13-25(17)37-29/h13-16,21-22,39-42H,9-12H2,1-8H3
InChIKey
LOXJDOVVTYSVAS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hematoporphyrin IX dimethyl ester
CAS: 32562-61-1
CID: 169446
Formula: C36H42N4O6
MW: 626.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight626.7
XLogP32.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Exact Mass626.31043507
Monoisotopic Mass626.31043507
Topological Polar Surface Area150 Ų
Heavy Atom Count46
Formal Charge0
Complexity1050
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
sc-228457Mesoporphyrin IX dimethyl ester
sc-264152AProtoporphyrin IX dimethyl ester
sc-227753Deuteroporphyrin IX dimethyl ester
sc-264152Protoporphyrin IX dimethyl ester
sc-2602562,4-Dimethyl Deuteroporphyrin IX dimethyl ester
sc-260256A2,4-Dimethyl Deuteroporphyrin IX dimethyl ester
sc-260248A2,4-Diacetyl deuteroporphyrin IX dimethyl ester
sc-2602482,4-Diacetyl deuteroporphyrin IX dimethyl ester
sc-263351Hematoporphyrin dihydrochloride
sc-263351AHematoporphyrin dihydrochloride

Alternative Products

CatalogName
T203002-01Hematoporphyrin IX dimethyl ester
IA17876-01Amlodipine dimethyl ester
HY-N13670Forsythide dimethyl ester
TXB-00078-01Biliverdin dimethyl ester
282090-01Methotrexate dimethyl ester
HY-W073023-01Pyroporphyrin dimethyl ester
GTR19244397-01Crocetine dimethyl ester
AR-N09001-01Nicardipine Dimethyl Ester
HY-W072979-01Mesoporphyrin dimethyl ester
PC2051Perfluoropolyether dimethyl ester

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