- Chlorophyllin
- Chlorophyllin copper sodium
- Chlorophyllins, coppercomplexes, sodium salts
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| Name |
Chlorophyllin |
EINECS | N/A |
| CAS No. | 15611-43-5 | Density | g/cm3 |
| PSA | 173.59000 | LogP | 0.59980 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C34H31 Mg N4 O6 . 3 H | Boiling Point | 801.6°Cat760mmHg |
| Molecular Weight | 495.90 | Flash Point | 438.6°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Questionable carcinogen. Poison by intraperitoneal and intravenous routes. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Chlorophyllina (7CI); Magnesate(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]-, trihydrogen, (SP-4-2)-(9CI) |
Chlorophyllin Chemical Properties
IUPAC Name: magnesium [18-(2-carboxyethyl)-20-(carboxymethyl)-1,2-ethenyl-7-ethyl-3,8,13,17-tetramethyl-18,23-dihydro-17H-porphyrin-2-ylidene]methanediolate
Molecular Formula: C34H34MgN4O6
Molecular Weight: 618.96196 [g/mol]
H-Bond Donor: 3
H-Bond Acceptor: 10
Flash Point: 438.6 °C
Enthalpy of Vaporization: 132.75 kJ/mol
Boiling Point: 801.6 °C at 760 mmHg
Vapour Pressure: 1.01E-29 mmHg at 25°C
Canonical SMILES: CCC1=C(C2=NC1=CC3=C(C(=C([O-])[O-])C(=N3)C(=C4C(C(C(=N4)C=C5C(=C(C(=C2)
N5)C=C)C)C)CCC(=O)O)CC(=O)O)C)C.[Mg+2]
InChI: InChI=1S/C34H36N4O6.Mg/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;/h7,12-14,17,21,35,43-44H,1,8-11H2,2-6H3,(H,39,
40)(H,41,42);/q;+2/p-2
InChIKey: PTADZZOCKJDRAG-UHFFFAOYSA-L
Structure of Chlorophyllin (CAS NO.15611-43-5):
.bmp)
Chlorophyllin Toxicity Data With Reference
| 1. | dnd-hmn-leu 1 µmol/L | MUREAV Mutation Research. 468 (2000),93. | ||
| 2. | cyt-orl-mus 3 mg/kg | MUREAV Mutation Research. 301 (1993),33. | ||
| 3. | orl-rat TDLo:193.2 mg/kg/46 W-C:CAR | CRNGDP Carcinogenesis. 22 (2000),315. | ||
| 4. | ipr-mus LD50:400 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 4 (1954),19. | ||
| 5. | ivn-mus LD50:285 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 4 (1954),19. | ||
| 6. | ivn-gpg LDLo:80 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 4 (1954),19. |
Chlorophyllin Safety Profile
Questionable carcinogen. Poison by intraperitoneal and intravenous routes.
Chlorophyllin Specification
Chlorophyllin , its cas register number is 15611-43-5. It also can be called Magnesium [18-(2-carboxyethyl)-20-(carboxymethyl)-1,2-ethenyl-7-ethyl-3,8,13,17-tetramethyl-18,23-dihydro-17H-porphyrin-2-ylidene]methanediolate . Be careful that alkaline hydrolysis replaces methyl & phytyl ester groups of chlorophyll with Na or K.
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