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Details

Stereochemistry ABSOLUTE
Molecular Formula C34H33N4O6.3Na
Molecular Weight 662.6183
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PHYTOCHLORIN TRISODIUM

SMILES

[Na+].[Na+].[Na+].CCC1=C(C)C2=NC1=CC3=C(C)C(C([O-])=O)=C(N3)C(CC([O-])=O)=C4N=C(C=C5NC(=C2)C(C=C)=C5C)[C@@H](C)[C@@H]4CCC([O-])=O

InChI

InChIKey=GVBNHHULZRENLV-BTFXJMARSA-K
InChI=1S/C34H36N4O6.3Na/c1-7-19-15(3)23-12-25-17(5)21(9-10-29(39)40)32(37-25)22(11-30(41)42)33-31(34(43)44)18(6)26(38-33)14-28-20(8-2)16(4)24(36-28)13-27(19)35-23;;;/h7,12-14,17,21,35,38H,1,8-11H2,2-6H3,(H,39,40)(H,41,42)(H,43,44);;;/q;3*+1/p-3/b23-12-,24-13-,25-12-,26-14-,27-13-,28-14-,32-22-,33-22-;;;/t17-,21-;;;/m0.../s1

HIDE SMILES / InChI

Molecular Formula C34H33N4O6
Molecular Weight 593.649
Charge -3
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Targets

PubMed

PubMed

TitleDatePubMed
Three-dimensional structure-activity analysis of a series of porphyrin derivatives with anti-HIV-1 activity targeted to the V3 loop of the gp120 envelope glycoprotein of the human immunodeficiency virus type 1.
1994 Apr 15
A screening assay for antiviral compounds targeted to the HIV-1 gp41 core structure using a conformation-specific monoclonal antibody.
1999 Jun
[Targeting of chlorine E6 by EGF increasing its photodynamic activity in selective ways].
2000
Interaction of porphyrins with human organic anion transporting polypeptide 1B1.
2009 Nov 10
Carrier-Free, Chemophotodynamic Dual Nanodrugs via Self-Assembly for Synergistic Antitumor Therapy.
2016 Jun 1
Hollow MnO(2) as a tumor-microenvironment-responsive biodegradable nano-platform for combination therapy favoring antitumor immune responses.
2017 Oct 12
G-Quadruplex-Based Nanoscale Coordination Polymers to Modulate Tumor Hypoxia and Achieve Nuclear-Targeted Drug Delivery for Enhanced Photodynamic Therapy.
2018 Nov 14
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 15:41:07 GMT 2023
Edited
by admin
on Sat Dec 16 15:41:07 GMT 2023
Record UNII
462U222HKD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PHYTOCHLORIN TRISODIUM
Common Name English
Chlorin E6 trisodium [WHO-DD]
Common Name English
CHLORIN E6 TRISODIUM SALT
Common Name English
PHYTOCHLORINE E6 TRISODIUM
Common Name English
PHYTOCHLORIN SODIUM
Common Name English
PHYTOCHLORIN TRISODIUM SALT
Common Name English
21H,23H-PORPHINE-7-PROPANOIC ACID, 3-CARBOXY-5-(CARBOXYMETHYL)-13-ETHENYL-18-ETHYL-7,8-DIHYDRO-2,8,12,17-TETRAMETHYL-, SODIUM SALT (1:3), (7S,8S)-
Systematic Name English
Code System Code Type Description
CAS
72984-36-2
Created by admin on Sat Dec 16 15:41:07 GMT 2023 , Edited by admin on Sat Dec 16 15:41:07 GMT 2023
PRIMARY
FDA UNII
462U222HKD
Created by admin on Sat Dec 16 15:41:07 GMT 2023 , Edited by admin on Sat Dec 16 15:41:07 GMT 2023
PRIMARY
EPA CompTox
DTXSID301340638
Created by admin on Sat Dec 16 15:41:07 GMT 2023 , Edited by admin on Sat Dec 16 15:41:07 GMT 2023
PRIMARY
ECHA (EC/EINECS)
277-169-4
Created by admin on Sat Dec 16 15:41:07 GMT 2023 , Edited by admin on Sat Dec 16 15:41:07 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY