CAS No.11006-34-1,Cuprate(3-),[(7S,8S)-3-carboxy-5-(carboxymethyl)-13-ethenyl-18-ethyl-7,8-dihydro-2,8,12,17-tetramethyl-21H,23H-porphine-7-propanoato(5-)-kN21,kN22,kN23,kN24]-, sodium (1:3), (SP-4-2)- Suppliers

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Basic Information

Molecular Structure:
CAS No.:	11006-34-1
Name:	Cuprate(3-),[(7S,8S)-3-carboxy-5-(carboxymethyl)-13-ethenyl-18-ethyl-7,8-dihydro-2,8,12,17-tetramethyl-21H,23H-porphine-7-propanoato(5-)-kN21,kN22,kN23,kN24]-, sodium (1:3), (SP-4-2)-

Formula:	C₃₄H₃₁CuN₄Na₃O₆
Molecular Weight:	724.16
Synonyms:	Chlorophyl Cu complex;Trisodium (2S-trans)-[18-carboxy-20-(carboxymethyl)-13-ethyl-2,3-dihydro-3,7,12,17-tetramethyl-8-vinyl-21H,23H-porphine-2-propionato(5-)-N21,N22,N23,N24]cuprate(3-);Chlorophyllin coppered trisodium salt;Sodium Copper Chlorophyll;Chlorophyllin copper sodium salt;Chlorophyllin sodium copper salt;
EINECS:	234-242-5
Density:	N/A
Melting Point:	N/A
Boiling Point:	801.6 °C at 760 mmHg
Flash Point:	438.6 °C
Solubility:	Soluble in water.
Appearance:	N/A
Hazard Symbols:	N/A
Risk Codes:	62
Safety:	22-24/25
Transport Information:	N/A
PSA:	136.27000
LogP:	-0.70870

Conditions	Yield
In water at 25℃;

Specification

The CAS register number of Chlorophyl Cu complex is 11006-34-1. It also can be called as Trisodium (2S-trans)-[18-carboxy-20-(carboxymethyl)-13-ethyl-2,3-dihydro-3,7,12,17-tetramethyl-8-vinyl-21H,23H-porphine-2-propionato(5-)-N21,N22,N23,N24]cuprate(3-) and the IUPAC name about this chemical is copper trisodium 3-[18-(dioxidomethylidene)-8-ethenyl-13-ethyl-3,7,12,17-tetramethyl-20-(2-oxido-2-oxoethyl)-2,3-dihydroporphyrin-23-id-2-yl]propanoate. The molecular formula about this chemical is C₃₄H₃₁CuN₄Na₃O₆and the molecular weight is 724.16. It belongs to the Organometallics. This chemical is harmful if swallowed. When you are using it, please avoid contact with skin and eyes and do not breathe dust.

Physical properties about Chlorophyl Cu complex are: (1)ACD/LogP: 2.17; (2)# of Rule of 5 Violations: 3; (3)#H bond acceptors: 10; (4)#H bond donors: 5; (5)#Freely Rotating Bonds: 9; (6)Polar Surface Area: 164.17Å²; (7)Flash Point: 438.6 °C; (8)Enthalpy of Vaporization: 132.75 kJ/mol; (9)Boiling Point: 801.6 °C at 760 mmHg; (10)Vapour Pressure: 1.01E-29 mmHg at 25°C.

The Chlorophyl Cu complex is the substance responsible for the green color in plants that accomplishes photosynthesis. It has been used traditionally to improve bad breath, as well as to reduce the odors of urine, feces, and infected wounds. This chemical has anti-inflammatory, antioxidant, and wound-healing properties. However, it is one of the most important chelates in nature. It is capable of channelling the energy of sunlight into chemical energy through the process of photosynthesis. In photosynthesis, the energy absorbed by chlorophyll transforms carbon dioxide and water into carbohydrates and oxygen. This chemical is vital for photosynthesis by destarching a variegated plant's leaves and exposing it to light for several hours.

You can still convert the following datas into molecular structure:
(1)SMILES: [Cu+2].[Na+].[Na+].[Na+].[O-]C(=O)CCC5C=2\N=C(\C=C1/[N-]/C(/C(\C=C)=C1C)=C\C\4=N\C(=C/C=3/N=C(/C=2CC([O-])=O)\C(=C(\[O-])[O-])/C=3C)/C(=C/4C)CC)C5C
(2)InChI: InChI=1/C34H36N4O6.Cu.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;;;;/h7,12-14,17,21H,1,8-11H2,2-6H3,(H5,35,36,37,38,39,40,41,42,43,44);;;;/q;+2;3*+1/p-5
(3)InChIKey: HWDGVJUIHRPKFR-AACRGIKGAZ
(4)Std. InChI: InChI=1S/C34H36N4O6.Cu.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;;;;/h7,12-14,17,21H,1,8-11H2,2-6H3,(H5,35,36,37,38,39,40,41,42,43,44);;;;/q;+2;3*+1/p-5
(5)Std. InChIKey: HWDGVJUIHRPKFR-UHFFFAOYSA-I

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	190mg/kg (190mg/kg)		Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 43, Pg. 722, 1954.
mouse	LD50	oral	7gm/kg (7000mg/kg)		Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 43, Pg. 722, 1954.