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Details

Stereochemistry MIXED
Molecular Formula C34H38N4O6.ClH.H2O
Molecular Weight 653.165
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HEMATOPORPHYRIN HYDROCHLORIDE MONOHYDRATE

SMILES

O.Cl.CC(O)C1=C(C)C2=CC3=C(C(C)O)C(C)=C(N3)C=C4N=C(C=C5NC(=CC1=N2)C(C)=C5CCC(O)=O)C(CCC(O)=O)=C4C

InChI

InChIKey=DJUQXKVMJTWUCD-UDHHKLSBSA-N
InChI=1S/C34H38N4O6.ClH.H2O/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);1H;1H2/b23-11-,24-12-,25-11-,26-13-,27-14-,28-14-,29-12-,30-13-;;

HIDE SMILES / InChI

Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C34H36N4O6
Molecular Weight 596.6728
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Hematoporphyrin (Photodyn), a porphyrin prepared from hemin, is used as a photosensitizer in photodynamic therapy. Photodynamic therapy is based on the use of light-sensitive photosensitizers. Photoactivation causes the formation of singlet oxygen, which produces peroxidative reactions that can cause cell damage and death. Hematoporphyrin was used as the therapeutic agent in patients with manic-depressive reactions and in patients with involutional melancholia. One of the last studies has shown, that Hematoporphyrin-Photodynamic therapy (PDT) combined with stent placement is an effective and safe treatment for extrahepatic cholangiocarcinoma (EHCC).

Approval Year

Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Sources: DOI: 10.1176/ajp.90.6.1157
Primary
Unknown

Approved Use

Unknown
Sources: DOI: 10.1176/ajp.90.6.1157
Primary
Unknown

Approved Use

Unknown
Primary
Unknown

Approved Use

Unknown
PubMed

PubMed

TitleDatePubMed
Detection and localization of In situ carcinoma of the bladder with hematoporphyrin derivative.
1982 Sep
The use of hematoporphyrin derivative (HpD) in the localization and treatment of transitional cell carcinoma (TCC) of the bladder.
1984
Separation of lipoproteins, albumin and gamma-globulin by single-step ultracentrifugation of human serum. Application. I: Binding of hematoporphyrin to human serum and to albumin.
1995 Apr
Temperature-induced changes in fluorescence properties as a probe of porphyrin microenvironment in lipid membranes. 2. The partition of hematoporphyrin and protoporphyrin in mitochondria.
1995 Oct 1
Structural investigation of the complexation properties between horse spleen apoferritin and metalloporphyrins.
1996 Mar
Photodynamic therapy: a new approach to prostate cancer.
2003 Jun
YC-1-like potentiation of NO-dependent activation of soluble guanylate cyclase by derivatives of protoporphyrin IX.
2006 Mar
Mitochondrial reactive oxygen species accelerate the expression of heme carrier protein 1 and enhance photodynamic cancer therapy effect.
2014 Jul
Patents

Sample Use Guides

Twenty-three patients with manic-depressive reactions were treated during the depressed phase with intramuscular and oral administration of hematoporphyrin hydrochloride for an average period of 50 to 6o days. Of this number five showed marked sustained improvement, six showed moderate sustained improvement, and six were generally benefited but the course of the psychosis did not seem to be positively affected. Six gave no favorable response. Seventeen patients of 23 can be said to have been definitely helped by the treatment
Route of Administration: Other
In Vitro Use Guide
Unknown
Substance Class Chemical
Created
by admin
on Sat Dec 16 10:48:41 GMT 2023
Edited
by admin
on Sat Dec 16 10:48:41 GMT 2023
Record UNII
63BCJ5R11D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HEMATOPORPHYRIN HYDROCHLORIDE MONOHYDRATE
MI  
Common Name English
21H,23H-PORPHINE-2,18-DIPROPANOIC ACID, 7,12-BIS(1-HYDROXYETHYL)-3,8,13,17-TETRAMETHYL-, MONOHYDROCHLORIDE, MONOHYDRATE
Common Name English
HEMATOPORPHYRIN HYDROCHLORIDE MONOHYDRATE [MI]
Common Name English
Code System Code Type Description
FDA UNII
63BCJ5R11D
Created by admin on Sat Dec 16 10:48:41 GMT 2023 , Edited by admin on Sat Dec 16 10:48:41 GMT 2023
PRIMARY
EPA CompTox
DTXSID10362202
Created by admin on Sat Dec 16 10:48:41 GMT 2023 , Edited by admin on Sat Dec 16 10:48:41 GMT 2023
PRIMARY
CAS
6033-08-5
Created by admin on Sat Dec 16 10:48:41 GMT 2023 , Edited by admin on Sat Dec 16 10:48:41 GMT 2023
PRIMARY
MERCK INDEX
m5941
Created by admin on Sat Dec 16 10:48:41 GMT 2023 , Edited by admin on Sat Dec 16 10:48:41 GMT 2023
PRIMARY Merck Index
Related Record Type Details
ANHYDROUS->SOLVATE