Hematoporphyrin (Technical Grade, ~30%)

CAT: 0572-TRC-H245678-50MGSize: 50 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-H245678-50MGSize:50 mg

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CAS Number

14459-29-1

Hazard Statement

No Data Available

Smiles

CC1=C(CCC(=O)O)C2=NC1=CC3=C(C)C(=C(C=C4C(=C(C(C)O)C(=N4)C=C5C(=C(CCC(=O)O)C(=C2)N5)C)C)N3)C(C)O

Molecular Formula

C34H38N4O6

Molecular Weight

598.68

InChI

InChI=1S/C34H38N4O6/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/h11-14,19-20,36-37,39-40H,7-10H2,1-6H3,(H,41,42)(H,43,44)/b23-11-,24-12-,25-11-,26-13-,27-14-,28-14-,29-12-,30-13-

Additionnal Information

IUPAC name: 3,3'-(7,12-bis(1-hydroxyethyl)-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropionic acid

Shipping Conditions

Room Temperature

Storage Conditions

-20°C

Chemical Information

Hematoporphyrin

Hematoporphyrin is a dicarboxylic acid that is protoporphyrin in which the vinyl groups at positions 7 and 12 are replaced by 1-hydroxyethyl groups. It has a role as a photosensitizing agent. It is a member of protoporphyrins and a dicarboxylic acid. It is functionally related to a protoporphyrin.

CAS Number	14459-29-1
PubChem CID	11103
IUPAC Name	3-[18-(2-carboxyethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid
Molecular Formula	C34H38N4O6
Molecular Weight	598.7
XLogP	2.1
Topological Polar Surface Area	172
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Heavy Atom Count	44
Formal Charge	0
Complexity	1020

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

InChI

InChIKey

KFKRXESVMDBTNQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 14459-29-1

CID: 11103

Formula: C34H38N4O6

MW: 598.7

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	598.7
XLogP3	2.1
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Exact Mass	598.27913494
Monoisotopic Mass	598.27913494
Topological Polar Surface Area	172 Å²
Heavy Atom Count	44
Formal Charge	0
Complexity	1020
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Hematoporphyrin (Technical Grade, ~30%)

Chemical Information

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